SCHEMBL28600659

SCHEMBL28600659

CCC(C#N)NC(=O)c1ccccc1-c1nc(Nc2cnn(C3CCN(C)CC3)c2)ncc1C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 6/20 0.49
KDR P35968 5/20 0.47
IGF1R P08069 5/20 0.46
JAK3 P52333 6/20 0.45
MAP3K14 Q99558 1/20 0.45
EGFR P00533 1/20 0.43
JAK1 P23458 2/20 0.43
DDR2 Q16832 1/20 0.43
JAK2 O60674 1/20 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
SCHEMBL28612508 0.91 FLT4 (0.49) FLT4KDRIGF1RJAK3MAP3K14
SCHEMBL27215625 0.87 JAK3 (0.50) FLT4KDRIGF1RJAK3MAP3K14
SCHEMBL29941628 0.87 JAK3 (0.50) FLT4KDRIGF1RJAK3MAP3K14
SCHEMBL22089924 0.87 JAK3 (0.50) FLT4KDRIGF1RJAK3MAP3K14
SCHEMBL28602227 0.85 JAK2 (0.46) JAK3JAK1JAK2
SCHEMBL28603799 0.85 IGF1R (0.46) FLT4KDRIGF1RJAK3JAK1
SCHEMBL28612506 0.84 FLT4 (0.55) FLT4KDRIGF1RJAK3MAP3K14
SCHEMBL28606145 0.84 CDK2 (0.49) FLT4KDRIGF1RJAK3MAP3K14
SCHEMBL28598992 0.84 IGF1R (0.54) FLT4IGF1R
SCHEMBL30956615 0.83 FLT4 (0.55) FLT4KDRIGF1RJAK3EGFR

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
CN-113227074-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods 凌科药业(杭州)有限公司 2021-08-06 CN disclosed