SCHEMBL30863513

SCHEMBL30863513

CN1CCN(c2ccc(C(=O)Nc3cc(Cl)cc4ccncc34)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.53
▸ TTK P33981 1/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ INCENP Q9NQS7 1/20 0.53
▸ F10 P00742 9/20 0.51
▸ HDAC3 O15379 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ RAB9A P51151 5/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ FGFR1 P11362 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C18 P33260 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL30863559 0.86 F10 (0.59) AURKATTKAURKBINCENPF10
SCHEMBL27195758 0.84 AURKA (0.53) AURKATTKAURKBINCENPF10
SCHEMBL30863478 0.84 HDAC3 (0.52) HDAC3HDAC8FGFR1
Hydrochloric Acid SCHEMBL27195736 0.80 AURKA (0.52) AURKATTKAURKBINCENPF10
SCHEMBL27195914 0.79 HDAC3 (0.59) AURKATTKAURKBINCENPF10
SCHEMBL30863502 0.79 HDAC3 (0.59) AURKATTKAURKBINCENPF10
SCHEMBL27195706 0.78 TRPV1 (0.58) AURKATTKAURKBINCENPF10
Hydrochloric Acid SCHEMBL30863551 0.77 F10 (0.58) AURKATTKAURKBINCENPF10
Hydrochloric Acid SCHEMBL30863555 0.75 F10 (0.56) AURKATTKAURKBINCENPF10
Hydrochloric Acid SCHEMBL30863442 0.75 NPC1 (0.54) AURKATTKAURKBINCENPF10

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-4581017-A1 NEW N-HETEROARYLBENZAMIDES DERIVATIVES AS FLT3 INHIBITORS Biodol Therapeutics (FR) 2025-07-09 — — EP disclosed
WO-2024079072-A1 NEW N-HETEROARYLBENZAMIDES DERIVATIVES AS FLT3 INHIBITORS BIODOL THERAPEUTICS (FR) 2024-04-18 — — WO disclosed
Send feedback