SCHEMBL16784355

SCHEMBL16784355

CCC(CO)Nc1ccn2ncc(-c3cccc(NC)c3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR2 P37173 2/20 0.52
RET P07949 2/20 0.49
PIM1 P11309 13/20 0.46
PIM2 Q9P1W9 7/20 0.45
FYN P06241 3/20 0.44
ACVR2A P27037 1/20 0.44
TGFBR1 P36897 1/20 0.44
FLT3 P36888 2/20 0.43

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
SCHEMBL102962 0.88 FYN (0.56) TGFBR2RETPIM1PIM2FYN
SCHEMBL103006 0.88 FYN (0.52) TGFBR2RETPIM1PIM2FYN
SCHEMBL102244 0.88 RET (0.47) TGFBR2RETPIM1PIM2FYN
SCHEMBL102521 0.87 NTRK1 (0.50) TGFBR2PIM1PIM2FYNFLT3
SCHEMBL103007 0.87 PIM1 (0.61) TGFBR2PIM1PIM2FYNFLT3
SCHEMBL102517 0.85 PIM1 (0.51) TGFBR2RETPIM1PIM2FYN
SCHEMBL103291 0.84 PIM1 (0.63) TGFBR2PIM1PIM2FLT3
SCHEMBL103014 0.84 FYN (0.57) TGFBR2RETPIM1PIM2FYN
SCHEMBL102524 0.82 PIM1 (0.65) TGFBR2PIM1PIM2FYNFLT3
SCHEMBL102241 0.81 FYN (0.55) RETPIM1PIM2FYN

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-2086979-B1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS INC (US) 2015-06-03 EP disclosed