SCHEMBL21535153

SCHEMBL21535153

CN1c2ccc(-c3cncc(CNC(=O)c4cn(CC(F)(F)F)nc4C4CC4)c3)cc2CCC1O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 17/20 0.38
▸ MGLL Q99685 1/20 0.35
▸ BMPR1B O00238 1/20 0.35
▸ ACVRL1 P37023 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34

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
SCHEMBL31260036 0.88 CYP11B1 (0.47) BMPR1BACVRL1ACVR1CYP11B1CYP11B2
SCHEMBL14789849 0.88 CYP11B1 (0.47) BMPR1BACVRL1ACVR1CYP11B1CYP11B2
SCHEMBL22004587 0.77 CYP11B2 (0.41) CYP11B1CYP11B2
SCHEMBL22005290 0.77 CYP11B2 (0.51) CYP11B1CYP11B2
SCHEMBL22004749 0.76 CYP11B2 (0.39) CYP11B1CYP11B2
SCHEMBL21535156 0.74 CYP11B2 (0.40) CYP11B1CYP11B2
SCHEMBL22004705 0.74 CYP11B2 (0.46) CYP11B1CYP11B2
SCHEMBL21535345 0.69 MAPK1 (0.39) CYP11B1CYP11B2
SCHEMBL14789859 0.68 CYP11B1 (0.51) CYP11B1CYP11B2
SCHEMBL31259986 0.68 CYP11B1 (0.51) CYP11B1CYP11B2

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-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 — — EP disclosed
Send feedback