SCHEMBL3356680

SCHEMBL3356680

Cc1sc2nc(NC3CCN(CC4CCCCC4)CC3)ncc2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 5/20 0.41
TYRO3 Q06418 4/20 0.41
FLT3 P36888 3/20 0.41
GAS6 Q14393 3/20 0.41
EHMT2 Q96KQ7 4/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CDK6 Q00534 1/20 0.36

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
SCHEMBL1604969 0.75 SMN1; SMN2 (0.66) MEN1KMT2AMAPK1HTTRAB9A
SCHEMBL5171720 0.70 FLT3 (0.40) MERTKTYRO3FLT3GAS6EHMT2
SCHEMBL4226720 0.70 FLT3 (0.40) MERTKTYRO3FLT3GAS6EHMT2
SCHEMBL4222519 0.69 FLT3 (0.40) MERTKTYRO3FLT3GAS6EHMT2
SCHEMBL4690535 0.68 CCR6 (0.47) MERTKTYRO3FLT3GAS6OPRL1
SCHEMBL1089927 0.68 CXCR4 (0.63) EHMT2CDK4CCNE1CDK2ACHE
SCHEMBL5171749 0.65 FLT3 (0.41) MERTKTYRO3FLT3GAS6MAPK1
SCHEMBL4220979 0.65 FLT3 (0.41) MERTKTYRO3FLT3GAS6MAPK1
SCHEMBL4220986 0.65 FLT3 (0.41) MERTKTYRO3FLT3GAS6MAPK1
SCHEMBL1089479 0.64 CXCR4 (0.64) CDK4CCNE1CDK2DRD2DRD3

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
EP-1797099-B1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE INC (US) 2010-08-11 EP disclosed