SCHEMBL901781

SCHEMBL901781

COC(=O)C1CCN(c2cc(Cl)nc(-c3ccnc(N4CCN(C(=O)O)CC4)c3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.44
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MAPT P10636 2/20 0.38
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
ITGAL P20701 2/20 0.38
KARS1 Q15046 1/20 0.37
SCN9A Q15858 2/20 0.37
PRKD1 Q15139 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
NEK2 P51955 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
MALT1 Q9UDY8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL1704536 0.89 LMNA (0.45) LMNASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1704917 0.86 LMNA (0.43) LMNASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL901397 0.83 KARS1 (0.55) KDM4EKARS1
SCHEMBL901952 0.80 LMNA (0.45) LMNASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1705038 0.76 CCNT1 (0.41) KMT2AKARS1PRKD1PRKD2NEK2
SCHEMBL1704646 0.76 GPR119 (0.42) LMNAMAPTL3MBTL1
SCHEMBL901378 0.76 LMNA (0.66) LMNASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1704616 0.74 KARS1 (0.53) KDM4EKARS1
SCHEMBL902918 0.72 KARS1 (0.58) KDM4EKARS1PRKD1PRKD2
SCHEMBL902088 0.72 KARS1 (0.56) KARS1PRKD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed