SCHEMBL30570535

SCHEMBL30570535

COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccnc(N(C)C)c1)CC3

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 10/20 0.65
▸ BAZ2B Q9UIF8 1/20 0.64
▸ KDR P35968 3/20 0.56
▸ USP2 O75604 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ PROKR1 Q8TCW9 4/20 0.50
▸ CDK4 P11802 1/20 0.48
▸ CCND1 P24385 1/20 0.48

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
SCHEMBL23828266 1.00 CFTR (0.65) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL29171356 0.79 BAZ2B (0.82) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL23828254 0.78 CFTR (0.75) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL31020950 0.76 CFTR (1.00) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL23828248 0.76 CFTR (1.00) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL23828253 0.76 CFTR (1.00) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL23828241 0.76 CFTR (0.75) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL17447456 0.75 BAZ2B (0.76) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL12868564 0.75 LMNA (0.78) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL7042654 0.75 BAZ2B (0.65) CFTRBAZ2BKDRUSP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 — — EP claimed
Send feedback