SCHEMBL25425814

SCHEMBL25425814

Fc1cnc(N2CCc3c([nH]c4ccc(Cl)cc34)C2c2cc[c]cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.48
▸ KIF11 P52732 9/20 0.44
▸ HTR2A P28223 4/20 0.41
▸ HTR2C P28335 4/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.39

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
SCHEMBL25424593 0.88 PDE5A (0.42) PDE5AKIF11TP53MAPTSMN1; SMN2
SCHEMBL25422610 0.87 PDE5A (0.52) PDE5AKIF11HTR2AHTR2CTP53
SCHEMBL25424553 0.86 PDE5A (0.48) PDE5AKIF11HTR2AHTR2CTP53
SCHEMBL25425469 0.85 PDE5A (0.51) PDE5AKIF11HTR2AHTR2C
SCHEMBL25424470 0.83 PDE5A (0.47) PDE5AKIF11HTR2AHTR2CTP53
SCHEMBL25423821 0.83 HTR2C (0.52) PDE5AKIF11HTR2AHTR2C
SCHEMBL25426941 0.82 PDE5A (0.51) PDE5AKIF11TP53MAPTSMN1; SMN2
SCHEMBL25423920 0.80 KIF11 (0.44) PDE5AKIF11HTR2AHTR2CSIRT1
SCHEMBL25424049 0.78 PDE5A (0.45) PDE5ATP53MAPTSMN1; SMN2
SCHEMBL25425899 0.78 MAPT (0.49) PDE5AKIF11HTR2AHTR2CTP53

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
WO-2023130070-A2 CARBOLINE COMPOUNDS AND USE THEREOF PTC THERAPEUTICS, INC. (US) 2023-07-06 — — WO claimed
Send feedback