SCHEMBL7821765

SCHEMBL7821765

BrC1Cc2ccccc2C(Oc2ncnc3nc[nH]c23)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.46
DBF4 Q9UBU7 6/20 0.46
LMNA P02545 5/20 0.42
HTT P42858 4/20 0.42
HSD17B10 Q99714 2/20 0.42
PKM P14618 1/20 0.42
CLK1 P49759 1/20 0.42
PDPK1 O15530 1/20 0.41
TSHR P16473 1/20 0.40
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
RECQL P46063 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.35
RPS6KB1 P23443 1/20 0.35
SCD O00767 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
PAK1 Q13153 1/20 0.34
METAP2 P50579 1/20 0.34

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
SCHEMBL7834228 0.79 CDK1 (0.46) CDC7DBF4LMNAHTTHSD17B10
SCHEMBL7822155 0.75 LMNA (0.40) CDC7DBF4LMNAHTTHSD17B10
SCHEMBL7821652 0.75 CDC7 (0.43) CDC7DBF4LMNAHTTHSD17B10
SCHEMBL7830573 0.66 CDK1 (0.56) CDC7DBF4LMNAHTTHSD17B10
SCHEMBL7835879 0.66 PDPK1 (0.40) LMNAHTTHSD17B10PKMCLK1
Hydrochloric Acid SCHEMBL7836200 0.65 PDPK1 (0.39) LMNAHTTHSD17B10PKMCLK1
SCHEMBL8939264 0.65 CDK1 (0.62) CDC7DBF4LMNAHTTHSD17B10
SCHEMBL1404475 0.64 CDC7 (1.00) CDC7DBF4LMNAHTTHSD17B10
SCHEMBL9204254 0.64 CDK1 (0.65) CDC7DBF4LMNAHTTHSD17B10
SCHEMBL6643412 0.61 LMNA (0.65) LMNAHTTHSD17B10PKMCLK1

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-0802914-B1 ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-06 EP claimed
EP-0802914-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 1997-10-29 EP claimed
WO-1997018212-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-22 WO claimed
EP-0802914-B1 ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-06 EP disclosed
US-5965563-A NOVEL PURINE DERIVATIVES SUCH AS N6-(2-OXINDOL-5-YL) ADENINE, METHODS OF SYNTHESIZING THEM; USE AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1999-10-12 US disclosed
EP-0802914-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 1997-10-29 EP disclosed
WO-1997018212-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-22 WO disclosed