SCHEMBL24568404

SCHEMBL24568404

C/C=C(\C=C/C=N)c1cc(-c2cc(Cl)ccc2F)nc(N)c1O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACVR1B P36896 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
PTGES O14684 1/20 0.30
AGPAT2 O15120 1/20 0.30

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
SCHEMBL24568795 0.89 PTGES (0.31) PTGES
SCHEMBL24568837 0.76 RET (0.30)
SCHEMBL24568731 0.76 TGFBR1 (0.30) ACVR1BTGFBR1ACVRL1
SCHEMBL24568805 0.73 AGPAT2 (0.41) ACVR1BTGFBR1ACVRL1AGPAT2
SCHEMBL24569028 0.73 HSP90AA1 (0.40) ACVR1BTGFBR1ACVRL1PTGESAGPAT2
SCHEMBL24568807 0.71 AMY1A (0.40) ACVR1BTGFBR1ACVRL1AGPAT2
SCHEMBL29694366 0.71 AMY1A (0.40) ACVR1BTGFBR1ACVRL1AGPAT2
SCHEMBL28994427 0.68 TGFBR1 (0.46) ACVR1BTGFBR1ACVRL1
SCHEMBL24568403 0.65 KDM4E (0.47) ACVR1BTGFBR1ACVRL1
SCHEMBL24569030 0.64 AGPAT2 (0.38) TGFBR1PTGESAGPAT2

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-2022136221-A1 PYRIDO OXAZINE DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-06-30 WO disclosed