SCHEMBL627611

SCHEMBL627611

Nc1ncc(-c2cn3nc(NCC4CCC(O)CC4)sc3n2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 16/20 0.43
▸ PIK3CA P42336 2/20 0.41
▸ FYN P06241 1/20 0.40
▸ F2RL3 Q96RI0 1/20 0.39
▸ MAP3K13 O43283 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ AXL P30530 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ MAP3K9 P80192 1/20 0.39
▸ MAP3K10 Q02779 1/20 0.39
▸ DMPK Q09013 1/20 0.39
▸ EPHA7 Q15375 1/20 0.39
▸ DLK1 P80370 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39

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
SCHEMBL626702 0.89 MAP3K12 (0.43) MAP3K12PIK3CAF2RL3MAP3K13NTRK1
SCHEMBL625673 0.89 MAP3K12 (0.48) MAP3K12PIK3CAF2RL3DLK1
SCHEMBL627440 0.86 FYN (0.45) MAP3K12PIK3CAFYNDLK1
SCHEMBL626582 0.84 PIK3CA (0.42) MAP3K12PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL624985 0.84 KDM4E (0.40) MAP3K12PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL627612 0.84 FYN (0.56) PIK3CAFYN
SCHEMBL627610 0.84 FYN (0.56) PIK3CAFYN
SCHEMBL12474086 0.81 PIK3CA (0.47) MAP3K12PIK3CAF2RL3PIK3CDPIK3CB
SCHEMBL626269 0.81 F2RL3 (0.44) MAP3K12PIK3CAF2RL3PIK3CDPIK3CB
SCHEMBL626145 0.79 F2RL3 (0.43) MAP3K12PIK3CAF2RL3PIK3CDPIK3CB

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
WO-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 — — WO disclosed
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