SCHEMBL7778558

SCHEMBL7778558

COC(=O)C(Nc1ncnc2nc[nH]c12)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
HSD17B10 Q99714 2/20 0.64
LMNA P02545 2/20 0.64
BRD4 O60885 8/20 0.54
EGFR P00533 1/20 0.51
NT5C2 P49902 2/20 0.50
MKNK1 Q9BUB5 1/20 0.50
CREBBP Q92793 1/20 0.49
NT5E P21589 1/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
TOP2A P11388 1/20 0.47
BRAF P15056 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CDK2 P24941 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7781149 0.85 LMNA (0.63) SMN1; SMN2HSD17B10LMNABRD4NT5C2
SCHEMBL7778551 0.82 EGFR (0.52) SMN1; SMN2HSD17B10LMNAEGFR
SCHEMBL7780508 0.80 SMN1; SMN2 (0.59) SMN1; SMN2HSD17B10LMNABRD4NT5C2
SCHEMBL27881279 0.78 LMNA (1.00) SMN1; SMN2HSD17B10LMNABRD4EGFR
SCHEMBL7778517 0.75 LMNA (0.66) SMN1; SMN2HSD17B10LMNABRD4NT5C2
SCHEMBL6016698 0.75 LMNA (0.66) SMN1; SMN2HSD17B10LMNABRD4EGFR
SCHEMBL6016697 0.75 LMNA (0.66) SMN1; SMN2HSD17B10LMNABRD4EGFR
SCHEMBL28900810 0.75 BRD4 (0.62) SMN1; SMN2HSD17B10LMNABRD4NT5C2
SCHEMBL6753015 0.72 BRD4 (0.62) HSD17B10LMNABRD4NT5C2CREBBP
SCHEMBL4496035 0.72 SMN1; SMN2 (0.70) SMN1; SMN2HSD17B10LMNABRD4NT5C2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853616-B1 BICYCLIC 4-ARALKYLAMINOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-09-19 EP claimed
CN-1198158-A Bicyclic 4-aralkylaminopyrimidine derivatives as tyrosine kinase inhibitors PHARMACIA & UPJOHN SPA (IT) 1998-11-04 CN claimed
EP-0853616-B1 BICYCLIC 4-ARALKYLAMINOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-09-19 EP disclosed
US-6057326-A USED FOR TREATING EPIDERMAL HYPERPROLIFERATION, AS AN ANTI-METASTATIC OR ANTI-CANCER AGENT, TO CONTROL ANGIOGENESIS, INHIBIT DEVELOPMENT OF ATHEROMATOUS PLAQUE, TREATING ALZHEIMER'S DISEASE, OR AS AN IMMUNOMODULATING AGENT PHARMACIA & UPJOHN S.P.A (IT) 2000-05-02 US disclosed
CN-1198158-A Bicyclic 4-aralkylaminopyrimidine derivatives as tyrosine kinase inhibitors PHARMACIA & UPJOHN SPA (IT) 1998-11-04 CN disclosed
EP-0853616-A1 BICYCLIC 4-ARALKYLAMINOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1998-07-22 EP disclosed
WO-1997049689-A1 BICYCLIC 4-ARALKYLAMINOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1997-12-31 WO disclosed