SCHEMBL24815805

SCHEMBL24815805

Cc1cc(N)nc(N2CCC(=C(F)F)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ HPGD P15428 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ SORD Q00796 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ TSHR P16473 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
SCHEMBL30856586 0.83 HRH4 (0.39) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL29195485 0.83 HRH4 (0.39) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL30788620 0.79 HRH4 (0.58) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL22148449 0.79 HRH4 (0.58) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL29195512 0.76 GRIN2D (0.55) KMT2AHPGDNPSR1KDM4EHSD17B10
SCHEMBL22119420 0.75 NOS3 (0.44) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL11898909 0.74 KMT2A (0.68) KMT2AMEN1NPSR1HSD17B10HRH4
SCHEMBL22155692 0.74 KMT2A (0.42) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL807735 0.72 MEN1 (0.54) KMT2AMEN1KDM4EUSP2HRH4
SCHEMBL31120933 0.71 NOS3 (0.38) KMT2AMEN1HPGDNPSR1KDM4E

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
CN-117917405-A KIF18A protein inhibitors 杭州邦顺制药有限公司 2024-04-23 — — CN disclosed
WO-2022268230-A1 COMPOUND AS KIF18A INHIBITOR 杭州英创医药科技有限公司 2022-12-29 — — WO disclosed
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