SCHEMBL901328

SCHEMBL901328

COC(=O)c1cc(Cl)nc(Nc2cnccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
KMT2A Q03164 4/20 0.43
CHEK1 O14757 1/20 0.43
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
TYK2 P29597 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
KDM4E B2RXH2 5/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL902713 0.89 CHEK1 (0.39) RAB9AKMT2ACHEK1MEN1POLB
SCHEMBL901297 0.86 KMT2A (0.44) RAB9AKMT2ACHEK1MEN1POLB
SCHEMBL10086656 0.76 ALDH1A1 (0.57) KMT2AMEN1TYK2JAK2JAK1
SCHEMBL569249 0.75 ALDH1A1 (0.59) KMT2AMEN1POLBKDM4EHTT
SCHEMBL1368376 0.75 JAK2 (0.61) RAB9AKMT2ATYK2JAK2JAK1
SCHEMBL1368373 0.75 JAK2 (0.61) RAB9AKMT2ATYK2JAK2JAK1
SCHEMBL3715743 0.75 ALDH1A1 (0.50) KMT2AMEN1POLBKDM4EHTT
SCHEMBL647152 0.74 ROCK1 (0.58) RAB9AKMT2AMEN1POLBKDM4E
Hydrochloric Acid SCHEMBL29890892 0.74 ALDH1A1 (0.57) KMT2AMEN1POLBKDM4EHTT
SCHEMBL10269158 0.74 KARS1 (0.46) RAB9AKMT2ACHEK1MEN1POLB

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