SCHEMBL31324653

SCHEMBL31324653

Brc1ccc2ccn(C3CCCC3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.38
▸ CDK4 P11802 5/20 0.38
▸ CDK1 P06493 2/20 0.38
▸ INSR P06213 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.34
▸ TTK P33981 3/20 0.34
▸ AURKB Q96GD4 1/20 0.33
▸ PIM2 Q9P1W9 2/20 0.32
▸ ADORA3 P0DMS8 3/20 0.32
▸ ADORA2A P29274 3/20 0.32
▸ ADORA1 P30542 3/20 0.32
▸ ADORA2B P29275 1/20 0.32

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
SCHEMBL22822703 0.97 AURKA (0.36) AURKACDK4CDK1INSRPDGFRB
SCHEMBL29547910 0.81 DGAT1 (0.33) AURKACDK4
SCHEMBL21810407 0.81 DGAT1 (0.33) AURKACDK4
SCHEMBL22801997 0.79 HTR6 (0.36) AURKACDK4CDK1INSRPDGFRB
SCHEMBL8513406 0.76 MTNR1A (0.40) AURKACDK4CDK1INSRPDGFRB
SCHEMBL22802002 0.74 KDM5A (0.34) AURKASRC
SCHEMBL22802031 0.74 KDM5A (0.34) AURKASRC
SCHEMBL22801941 0.73 HCAR1 (0.45) —
SCHEMBL28961559 0.72 DGAT1 (0.41) AURKACDK4CDK1INSRPDGFRB
SCHEMBL31749158 0.71 CYP11B2 (0.36) AURKACDK4CDK1INSRPDGFRB

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-4735420-A1 ARYL INDOL-3-YL KETONE AND ARYL INDAZOL-3-YL KETONE INHIBITORS OF KIF18A Volastra Therapeutics, Inc. (US) 2026-05-06 — — EP disclosed
WO-2025007055-A1 ARYL INDOL-3-YL KETONE AND ARYL INDAZOL-3-YL KETONE INHIBITORS OF KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2025-01-02 — — WO disclosed
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