SCHEMBL901343

SCHEMBL901343

Cc1ccnc(Nc2cc3ccccc3c(-c3cccc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
TNK2 Q07912 1/20 0.43
JAK1 P23458 1/20 0.43
PDE10A Q9Y233 2/20 0.42
PDK4 Q16654 1/20 0.42
GRM5 P41594 6/20 0.42
GRM1 Q13255 5/20 0.42
SOS1 Q07889 1/20 0.41
SYK P43405 2/20 0.41
WNT3A P56704 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
HTR6 P50406 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
SCHEMBL902803 0.90 PDE10A (0.45) NAMPTTNK2JAK1PDE10APDK4
SCHEMBL1704967 0.89 ALDH1A1 (0.44) CDK9
SCHEMBL1704146 0.87 NAMPT (0.43) NAMPTTNK2JAK1PDE10APDK4
SCHEMBL1704197 0.85 KARS1 (0.49) NAMPTJAK1GRM5GRM1SYK
SCHEMBL1704495 0.82 PDK4 (0.48) NAMPTTNK2JAK1PDE10APDK4
SCHEMBL902751 0.82 CKS1B (0.47) SYKWNT3A
SCHEMBL1705014 0.77 ALDH1A1 (0.44) NAMPTCDK9
SCHEMBL902789 0.77 ALDH1A1 (0.42) SOS1
SCHEMBL15602478 0.76 WNT3A (0.42) NAMPTTNK2JAK1PDE10AGRM5
SCHEMBL1704352 0.76 GRM1 (0.46) NAMPTTNK2JAK1PDE10APDK4

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