SCHEMBL30672832

SCHEMBL30672832

Nc1ccc2c(ccn2CCF)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.55
▸ EGFR P00533 2/20 0.45
▸ PLAU P00749 2/20 0.44
▸ PLG P00747 1/20 0.44
▸ BRPF1 P55201 1/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ CDK4 P11802 6/20 0.41
▸ CCND1 P24385 6/20 0.41
▸ HTR2A P28223 5/20 0.41
▸ HTR2C P28335 5/20 0.41
▸ HTR6 P50406 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
SCHEMBL16370787 1.00 PRKCI (0.55) PRKCIEGFRPLAUPLGBRPF1
SCHEMBL6789563 0.87 PRKCI (0.56) PRKCIEGFRPLAUPLGBRPF1
SCHEMBL3650822 0.82 PRKCI (0.59) PRKCIEGFRPLAUPLGBRPF1
SCHEMBL13836419 0.82 PRKCI (0.55) PRKCIEGFRPLAUPLGBRPF1
SCHEMBL16219087 0.81 PLG (0.43) PLAUPLGCDK4CCND1HTR2A
SCHEMBL5089820 0.79 PRKCI (0.56) PRKCIEGFRPLAUPLGBRPF1
SCHEMBL216229 0.78 HTR2C (0.61) PRKCIEGFRBRPF1NTSR1HTR2A
SCHEMBL3653449 0.78 PRKCI (0.54) PRKCIEGFRPLAUPLGBRPF1
SCHEMBL30411128 0.78 HTR2C (0.61) PRKCIEGFRBRPF1NTSR1HTR2A
SCHEMBL31265088 0.78 PRKCI (0.58) PRKCIEGFRPLAUBRPF1NTSR1

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
CN-117486865-A Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2024-02-02 — — CN disclosed
CN-112592334-B Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2023-10-27 — — CN disclosed
Send feedback