SCHEMBL29959696

SCHEMBL29959696

O=C(Cn1cc(-c2ccnc3ccccc23)c(-c2ccccn2)n1)NCc1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 9/20 0.59
▸ MAPK14 Q16539 6/20 0.59
▸ CNR1 P21554 1/20 0.46
▸ ENPP2 Q13822 1/20 0.44
▸ KMT2A Q03164 1/20 0.39
▸ SCD O00767 1/20 0.39
▸ SRC P12931 2/20 0.39
▸ PANK1 Q8TE04 1/20 0.39
▸ PANK3 Q9H999 1/20 0.39
▸ LMNA P02545 1/20 0.38

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
SCHEMBL23409906 1.00 TGFBR1 (0.59) TGFBR1MAPK14CNR1ENPP2KMT2A
SCHEMBL28822077 0.90 TGFBR1 (0.59) TGFBR1MAPK14CNR1ENPP2LMNA
SCHEMBL28822071 0.90 TGFBR1 (0.69) TGFBR1MAPK14CNR1LMNA
SCHEMBL29959467 0.90 TGFBR1 (0.59) TGFBR1MAPK14LMNA
SCHEMBL23409924 0.90 TGFBR1 (0.61) TGFBR1MAPK14CNR1KMT2A
SCHEMBL23409961 0.90 TGFBR1 (0.59) TGFBR1MAPK14LMNA
SCHEMBL29959785 0.90 TGFBR1 (0.61) TGFBR1MAPK14CNR1KMT2A
SCHEMBL28822069 0.88 TGFBR1 (0.56) TGFBR1MAPK14LMNA
SCHEMBL23409662 0.87 TGFBR1 (0.56) TGFBR1MAPK14
SCHEMBL29959975 0.87 TGFBR1 (0.56) TGFBR1MAPK14

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-114787145-B Benzamide derivatives as transforming growth factor-beta receptor I/ALK5 inhibitors 阿戈麦布西班牙股份有限公司 2024-03-26 — — CN disclosed
EP-4065572-A1 BENZYLAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 Origo Biopharma, S.L. (ES) 2022-10-05 — — EP disclosed
Send feedback