SCHEMBL901638

SCHEMBL901638

Nc1cccc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.43
PRKD1 Q15139 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
KARS1 Q15046 4/20 0.42
SMG1 Q96Q15 4/20 0.42
MTOR P42345 3/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
CDK1 P06493 2/20 0.41
CDK2 P24941 2/20 0.41
CNR1 P21554 1/20 0.41
MAPK1 P28482 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RCE1 Q9Y256 1/20 0.40
KMT2A Q03164 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
GRM5 P41594 1/20 0.40

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
SCHEMBL902015 0.89 ITGB2 (0.46) PRKD3PRKD1PRKD2KARS1SMG1
SCHEMBL1704599 0.84 CKS1B (0.51)
SCHEMBL901785 0.83 KARS1 (0.53) PRKD1PRKD2KARS1SMG1MTOR
SCHEMBL902067 0.83 MTOR (0.54) KARS1SMG1MTORKDM4EL3MBTL1
SCHEMBL901843 0.81 ASIC3 (0.46) NOS3NOS1MAPK1LMNATSHR
SCHEMBL1579600 0.80 CNR1 (0.47) CNR1MAPK1LMNATSHRALDH1A1
SCHEMBL12469600 0.80 KARS1 (0.45) KARS1SMG1MTORNOS3NOS1
SCHEMBL3442387 0.79 ALDH1A1 (0.56) MAPK1LMNATSHRALDH1A1KDM4E
SCHEMBL1704662 0.78 KARS1 (0.72) KARS1SMG1CDK1CDK2LMNA
SCHEMBL902071 0.78 KARS1 (0.72) KARS1

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