SCHEMBL901371

SCHEMBL901371

OC1CCN(c2cc(Cl)nc(Nc3cnccn3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
CHEK2 O96017 1/20 0.42
KARS1 Q15046 6/20 0.42
SYK P43405 1/20 0.42
MAPT P10636 1/20 0.38
EGFR P00533 2/20 0.38
ABL1 P00519 1/20 0.38
PRKD1 Q15139 1/20 0.37
MAP4K1 Q92918 1/20 0.36
ADORA2A P29274 1/20 0.36
KDM4E B2RXH2 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
CCNT1 O60563 1/20 0.34
WEE1 P30291 1/20 0.34

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
SCHEMBL10086651 0.77 KDM4E (0.53) CHEK1CHEK2KARS1KDM4ECCNT1
SCHEMBL901730 0.76 GRM2 (0.42) MAPTABL1KDM4ECCNT1
SCHEMBL1367538 0.76 JAK2 (0.64) KARS1SYKEGFR
SCHEMBL1367542 0.76 JAK2 (0.64) KARS1SYKEGFR
SCHEMBL901823 0.75 KARS1 (0.70) KARS1PRKD1
SCHEMBL902088 0.73 KARS1 (0.56) CHEK1CHEK2KARS1SYKPRKD1
SCHEMBL10269158 0.69 KARS1 (0.46) CHEK1CHEK2KARS1MAPTADORA2A
SCHEMBL901245 0.68 KARS1 (0.52) CHEK1CHEK2KARS1PRKD1
SCHEMBL10086672 0.68 KDM4E (0.49) CHEK1CHEK2KARS1KDM4E
SCHEMBL901297 0.68 KMT2A (0.44) CHEK1KARS1MAPTKDM4E

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