SCHEMBL8328996

SCHEMBL8328996

Cn1c(=O)ccc2cncnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
CCND2 P30279 1/20 0.48
CCND3 P30281 1/20 0.48
MKNK2 Q9HBH9 8/20 0.45
CYP1A2 P05177 10/20 0.44
CYP3A4 P08684 8/20 0.44
TSHR P16473 5/20 0.44
CLK4 Q9HAZ1 4/20 0.44
HSD17B10 Q99714 5/20 0.42
USP2 O75604 4/20 0.42
MKNK1 Q9BUB5 2/20 0.41
ALDH1A1 P00352 5/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL29542651 1.00 CDK4 (0.48) CDK4CCND1CCND2CCND3MKNK2
Hydrochloric Acid SCHEMBL29504951 0.98 CDK4 (0.47) CDK4CCND1CCND2CCND3MKNK2
Hydrochloric Acid SCHEMBL29861522 0.98 CDK4 (0.47) CDK4CCND1CCND2CCND3MKNK2
Hydrochloric Acid SCHEMBL30603777 0.96 CDK4 (0.46) CDK4CCND1CCND2CCND3MKNK2
SCHEMBL29830517 0.78 CDK4 (0.53) CDK4CCND1CCND2CCND3CYP1A2
SCHEMBL2247063 0.78 MKNK2 (0.39) MKNK2CYP1A2CYP3A4TSHRCLK4
SCHEMBL4072772 0.77 EGFR (0.39) MKNK2CYP1A2CYP3A4TSHRCLK4
SCHEMBL7008947 0.77 CDK4 (0.56) CDK4CCND1CCND2CCND3
SCHEMBL7021738 0.77 EGFR (0.39) CDK4CCND1CCND2CCND3MKNK2
SCHEMBL29830539 0.77 CDK4 (0.56) CDK4CCND1CCND2CCND3

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-4208261-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. (US) 2023-07-12 EP disclosed
WO-2022060583-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. (US) 2022-03-24 WO disclosed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 EP disclosed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 WO disclosed