SCHEMBL902213

SCHEMBL902213

C1=C(c2cccc(-c3nc(Nc4cnccn4)cc4ccccc34)c2)CCNC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 4/20 0.40
HTR2C P28335 5/20 0.40
SIGMAR1 Q99720 1/20 0.40
CDK9 P50750 4/20 0.39
CCNT1 O60563 1/20 0.36
HTR6 P50406 1/20 0.35
CDK4 P11802 1/20 0.35
CDK6 Q00534 1/20 0.35
KDR P35968 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
SCHEMBL1705140 0.86 KDR (0.42) KARS1HTR2CSIGMAR1CDK9HTR6
SCHEMBL902309 0.82 KARS1 (0.49) KARS1HTR2CSIGMAR1CDK9
SCHEMBL901538 0.81 KARS1 (0.60) KARS1HTR2CSIGMAR1CDK9
SCHEMBL902895 0.81 AURKA (0.41) HTR2CSIGMAR1HTR6
SCHEMBL901298 0.75 KARS1 (0.64) KARS1
SCHEMBL11963492 0.74 KHK (0.44) KARS1HTR2CSIGMAR1CDK9CDK4
SCHEMBL902803 0.74 PDE10A (0.45) CDK9CCNT1HTR6
SCHEMBL901708 0.74 KARS1 (0.66) KARS1
SCHEMBL902808 0.74 SYK (0.43) KARS1KDR
SCHEMBL1755681 0.70 KARS1 (0.56) 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 4 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 claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
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