SCHEMBL30863472

SCHEMBL30863472

COc1cc(C(=O)Nc2ccc(F)c3ccncc23)ccc1N1C[C@@H]2C[C@@H]1CN2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.45
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ABCC1 P33527 2/20 0.42
▸ PDE4D Q08499 3/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ WDR5 P61964 2/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 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
SCHEMBL30863539 1.00 ABCB1 (0.45) ABCB1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL27195719 0.75 WDR5 (0.44) ABCB1MEN1KMT2AWDR5GSK3B
SCHEMBL30863419 0.75 WDR5 (0.44) ABCB1MEN1KMT2AWDR5GSK3B
SCHEMBL30863487 0.74 MAPT (0.45) KMT2AWDR5POLBSMN1; SMN2ALDH1A1
Lithium Ion SCHEMBL30863538 0.71 CYP2D6 (0.39) KMT2ACYP1A2CYP3A4CYP2C19BRAF
SCHEMBL27195718 0.69 HDAC1 (0.57) CYP3A4CYP2C19
SCHEMBL30863422 0.69 WDR5 (0.49) ABCB1MEN1KMT2AWDR5
SCHEMBL27195914 0.68 HDAC3 (0.59) WDR5BRD4
SCHEMBL30863420 0.67 HTR1D (0.42) ABCB1MEN1KMT2APDE4DPDE4A
SCHEMBL27195704 0.67 HTR1D (0.42) ABCB1MEN1KMT2APDE4DPDE4A

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 4 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 claimed
WO-2024079072-A1 NEW N-HETEROARYLBENZAMIDES DERIVATIVES AS FLT3 INHIBITORS BIODOL THERAPEUTICS (FR) 2024-04-18 — — WO claimed
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
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