SCHEMBL11097883

SCHEMBL11097883

CN(C)c1nc(NC=C(C(=O)O)C(=O)O)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.47
TCF7L2 Q9NQB0 5/20 0.47
NUDT1 P36639 1/20 0.46
ADORA3 P0DMS8 1/20 0.43
TSHR P16473 6/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 4/20 0.39
TP53 P04637 4/20 0.39
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 4/20 0.39
USP2 O75604 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CYP2C9 P11712 2/20 0.39
MERTK Q12866 1/20 0.39
LMNA P02545 4/20 0.39
CYP2C19 P33261 2/20 0.38
MAPK1 P28482 1/20 0.38
S1PR1 P21453 1/20 0.37
OPRD1 P41143 1/20 0.37

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
SCHEMBL11095223 0.82 LMNA (0.43) ADORA3TSHRALDH1A1KDM4EHSD17B10
SCHEMBL11100924 0.80 ADORA3 (0.38) ADORA3ALDH1A1KDM4ELMNACYP2C19
SCHEMBL10970832 0.74 ADORA3 (0.55) ADORA3TSHRALDH1A1KDM4ECLK4
SCHEMBL10970416 0.71 MAPT (0.39) TSHRALDH1A1KDM4EHSD17B10LMNA
SCHEMBL11098958 0.69 KMT2A (0.38) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL25247772 0.68 NUDT1 (0.61) CTNNB1TCF7L2NUDT1TSHRALDH1A1
SCHEMBL10971806 0.68 MAPT (0.55) KDM4ECYP1A2CYP3A4LMNACYP2C19
SCHEMBL10970373 0.67 MAPT (0.54) KDM4ECYP1A2CYP3A4LMNACYP2C19
SCHEMBL1620437 0.66 NUDT1 (0.62) NUDT1TSHRALDH1A1KDM4EHSD17B10
SCHEMBL10970489 0.65 MAPT (0.52) KDM4ETP53CYP1A2CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0030156-B1 QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-21 EP disclosed
US-4429126-A ANTIASTHMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-31 US disclosed
US-4377580-A ANTIALLERGENIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-03-22 US disclosed
EP-0030156-A1 Quinazoline derivatives, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-10 EP disclosed