SCHEMBL23320498

SCHEMBL23320498

Cn1c(-c2ccccn2)cc2cc(N(Cc3ccncc3)C(N)=O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 2/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ GPR39 O43194 2/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ QPCT Q16769 1/20 0.34
▸ CDC7 O00311 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL23320492 0.90 CYP19A1 (0.40) KCNA5CYP19A1CA12CA9NPC1
SCHEMBL23320490 0.81 ALOX5 (0.38) CYP19A1CA12CA9NPC1RAB9A
SCHEMBL23320543 0.81 PTGES2 (0.36) NTRK1KMT2A
SCHEMBL23320475 0.77 CYP19A1 (0.40) KCNA5CYP19A1MAPTKMT2A
SCHEMBL23320561 0.76 ALDH1A1 (0.39) QPCTMAPTL3MBTL1POLB
SCHEMBL24042594 0.72 NAMPT (0.51) MEN1KMT2A
SCHEMBL30943149 0.72 NAMPT (0.51) MEN1KMT2A
SCHEMBL23320476 0.72 PTGES2 (0.35) NTRK1
SCHEMBL23320494 0.70 CA12 (0.45) CA12CA9NPC1RAB9ATSHR
SCHEMBL30943245 0.70 CA12 (0.45) CA12CA9NPC1RAB9ATSHR

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
EP-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 — — EP claimed
EP-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 — — EP disclosed
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