SCHEMBL18696331

SCHEMBL18696331

Cc1cc(N2CCN(C)CC2)ccc1Nc1nc(Nc2ccccc2C)c2cc[nH]c2n1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.63
PTK2 Q05397 8/20 0.61
MAP4K1 Q92918 2/20 0.60
IGF1R P08069 5/20 0.59
ALK Q9UM73 1/20 0.54
CCNK O75909 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CCND3 P30281 1/20 0.51
CDK9 P50750 1/20 0.51
CDK6 Q00534 1/20 0.51
JAK2 O60674 1/20 0.51
BRD4 O60885 1/20 0.51

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
SCHEMBL18696330 0.92 ALK (0.65) TTKPTK2MAP4K1IGF1RALK
SCHEMBL18696334 0.89 IGF1R (0.57) TTKPTK2MAP4K1IGF1RALK
SCHEMBL23566973 0.86 EGFR (0.68) TTKPTK2MAP4K1IGF1RALK
SCHEMBL30736226 0.86 EGFR (0.68) TTKPTK2MAP4K1IGF1RALK
SCHEMBL17742334 0.82 TTK (0.60) TTKPTK2MAP4K1IGF1RALK
SCHEMBL15442388 0.81 MAP4K1 (0.55) TTKPTK2MAP4K1IGF1RALK
SCHEMBL12429374 0.79 PTK2 (0.69) TTKPTK2IGF1RALK
SCHEMBL18696335 0.79 CCNK (0.79) IGF1RALKCCNKCCNA2CDK2
SCHEMBL11919325 0.78 PTK2 (0.84) PTK2MAP4K1IGF1RALKJAK2
SCHEMBL29017290 0.78 TTK (0.65) TTKPTK2MAP4K1IGF1RALK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611283-B1 Methods for inhibiting cell proliferation in ALK-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-04-04 US disclosed