SCHEMBL11298985

SCHEMBL11298985

Nc1ncc(C(=O)Nc2ccccc2)c(N)n1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 12/20 0.63
PRKCI P41743 1/20 0.60
ATR Q13535 3/20 0.56
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
PRKDC P78527 1/20 0.54
XPO1 O14980 1/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL16465324 0.86 PRKCI (0.52) PTPN11PRKCIATRALDH1A1LMNA
SCHEMBL6582057 0.83 PTPN11 (0.59) PTPN11PRKCIATRALDH1A1LMNA
SCHEMBL4559784 0.82 PTPN11 (0.48) PTPN11PRKCIATRALDH1A1LMNA
SCHEMBL4559143 0.82 KMT2A (0.51) PTPN11PRKCIATRALDH1A1LMNA
SCHEMBL4559593 0.81 PTPN11 (0.56) PTPN11PRKCIATRALDH1A1LMNA
SCHEMBL22573622 0.80 PTPN11 (0.52) PTPN11PRKCIATRALDH1A1LMNA
SCHEMBL22573544 0.79 LMNA (0.64) PTPN11PRKCIATRALDH1A1LMNA
SCHEMBL22573444 0.79 PRKCI (0.58) PTPN11PRKCIATRALDH1A1LMNA
SCHEMBL4560198 0.78 KDM4E (0.65) PRKCIATRALDH1A1KDM4E
SCHEMBL22573364 0.78 ATR (0.61) PTPN11PRKCIATRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0012361-A1 Amino-pyrimidine-carbanilides, process for their preparation, medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1980-06-25 EP claimed
EP-0012361-B1 Amino-pyrimidine-carbanilides, process for their preparation, medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-30 EP disclosed
US-4285946-A ANOREXIGENIC AGENTS; TREATING DISTURBANCES OF THE METABOLISM OF LIPIDS HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-25 US disclosed
EP-0012361-A1 Amino-pyrimidine-carbanilides, process for their preparation, medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1980-06-25 EP disclosed
EP-0012361-A1 Amino-pyrimidine-carbanilides, process for their preparation, medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1980-06-25 EP disclosed