SCHEMBL20154980

SCHEMBL20154980

Cc1cc(Nc2ncc(Br)c(NC3CCN(C(=O)OC(C)(C)C)CC3)n2)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 13/20 0.57
FGFR1 P11362 3/20 0.46
KDR P35968 3/20 0.46
GPR119 Q8TDV5 1/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
CNR1 P21554 1/20 0.44
DNMT3A Q9Y6K1 1/20 0.43
INSR P06213 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SYK P43405 1/20 0.42

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
SCHEMBL20154910 0.85 IGF1R (0.48) IGF1RGPR119AURKAAURKBDNMT3A
SCHEMBL11346537 0.83 IGF1R (0.71) IGF1R
SCHEMBL4071068 0.79 SYK (0.51) IGF1RAURKAAURKBSYK
SCHEMBL6832459 0.78 SYK (0.57) IGF1RGPR119AURKAAURKBALDH1A1
SCHEMBL11932348 0.78 IGF1R (0.54) IGF1RGPR119CNR1DNMT3AALDH1A1
SCHEMBL20154906 0.77 ALDH1A1 (0.51) GPR119CNR1ALDH1A1
SCHEMBL20154982 0.77 ALDH1A1 (0.49) GPR119CNR1ALDH1A1
SCHEMBL20154930 0.77 IGF1R (0.51) IGF1RGPR119AURKAAURKBALDH1A1
SCHEMBL24996918 0.77 PAK1 (0.52) IGF1RFGFR1KDRAURKBCNR1
SCHEMBL22055106 0.77 BRD4 (0.51) IGF1RCNR1DNMT3AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3530656-B1 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF UNIV ZHEJIANG (CN) 2022-01-05 EP disclosed
WO-2018086547-A1 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF 浙江大学 2018-05-17 WO disclosed