SCHEMBL1704430

SCHEMBL1704430

CC(C)(C)OC(=O)N1CC=C(c2cc(-c3cc(N)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 3/20 0.49
GRM1 Q13255 6/20 0.45
GRM5 P41594 5/20 0.45
WNT3A P56704 1/20 0.45
SYK P43405 2/20 0.43
JAK1 P23458 1/20 0.41
BTK Q06187 1/20 0.41
CYP11B2 P19099 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
TNK2 Q07912 1/20 0.40
ATR Q13535 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
SCHEMBL10269155 0.88 WNT3A (0.43) KARS1GRM1GRM5WNT3ASYK
SCHEMBL901761 0.88 KARS1 (0.54) KARS1CDK9
SCHEMBL1704352 0.83 GRM1 (0.46) KARS1GRM1GRM5WNT3ASYK
SCHEMBL901333 0.82 KARS1 (0.65) KARS1SYK
SCHEMBL1705279 0.81 GRM1 (0.47) KARS1GRM1GRM5WNT3AJAK1
SCHEMBL1705115 0.79 KARS1 (0.55) KARS1GRM1GRM5WNT3AJAK1
SCHEMBL1704574 0.78 KARS1 (0.48) KARS1GRM1GRM5WNT3AJAK1
SCHEMBL1704429 0.77 KARS1 (0.46) KARS1WNT3ASYKJAK1CDK9
SCHEMBL901565 0.75 KARS1 (0.42) KARS1CDK9
SCHEMBL901564 0.75 KARS1 (0.42) KARS1CDK9

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