SCHEMBL901241

SCHEMBL901241

Cc1ccnc(Nc2cccc(-c3ccnc(NCCO)c3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 1.00
SYK P43405 1/20 0.49
EGFR P00533 1/20 0.49
CDK1 P06493 3/20 0.47
NPC1 O15118 2/20 0.47
CDK2 P24941 2/20 0.47
MTOR P42345 2/20 0.47
SMG1 Q96Q15 2/20 0.47
CCNT1 O60563 1/20 0.47
MAPT P10636 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
XBP1 P17861 1/20 0.47
CCNA2 P20248 1/20 0.47
CCND1 P24385 1/20 0.47
CCNE1 P24864 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47

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
SCHEMBL10268092 0.88 KARS1 (1.00) KARS1SYKNPC1CDK7CDK9
SCHEMBL901307 0.87 KARS1 (0.77) KARS1SYKNPC1MAPTHTT
SCHEMBL1755683 0.86 KARS1 (1.00) KARS1SYKCDK1NPC1CDK2
SCHEMBL12469502 0.85 KARS1 (0.74) KARS1SYKCDK1NPC1CDK2
SCHEMBL901879 0.83 KARS1 (0.71) KARS1SYKCDK1NPC1CDK2
SCHEMBL1704304 0.82 KARS1 (0.72) KARS1SYKCDK1NPC1CDK2
SCHEMBL1755624 0.80 KARS1 (0.79) KARS1SYKNPC1CDK7CDK9
SCHEMBL902672 0.80 KARS1 (0.74) KARS1SYKNPC1CDK7CDK9
SCHEMBL828151 0.79 KARS1 (0.63) KARS1EGFRNPC1MEN1POLB
SCHEMBL902707 0.79 SYK (0.76) KARS1SYKNPC1CDK7CDK9

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 5 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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO 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