SCHEMBL31240393

SCHEMBL31240393

CCCCN(CCCC)CCCc1c(F)cc(-c2cc3c(-c4ccc5[nH]ncc5c4)ccnc3[nH]2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 5/20 0.38
▸ CDK9 P50750 5/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ TRPA1 O75762 3/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ PRKCQ Q04759 1/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ HIPK2 Q9H2X6 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ CLK2 P49760 3/20 0.35

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
SCHEMBL31240455 0.94 TGFBR1 (0.39) CCNT1CDK9TGFBR1TRPA1PIK3CA
SCHEMBL31240449 0.92 CCNT1 (0.39) CCNT1CDK9TGFBR1TRPA1PIK3CA
SCHEMBL31240766 0.83 AURKA (0.47) CCNT1CDK9TGFBR1TRPA1PIK3CA
SCHEMBL31240731 0.81 ROCK2 (0.44) CCNT1CDK9TRPA1PIK3CAROCK2
SCHEMBL31240583 0.77 CLK2 (0.42) CCNT1CDK9WNT1ROCK2MAP4K4
SCHEMBL31240632 0.76 CLK2 (0.41) CCNT1CDK9WNT1ROCK2MAP4K4
SCHEMBL31240648 0.71 TRPA1 (0.41) TGFBR1TRPA1PIK3CACCNKCDK12
SCHEMBL31240575 0.70 MAP3K11 (0.41) CDK9PIK3CACCNKCDK12PRKCQ
SCHEMBL31240759 0.70 CDK9 (0.40) CCNT1CDK9CDC7PIM1GSK3B
SCHEMBL31240369 0.67 CHUK (0.47) CCNT1CDK9WNT1CLK2DYRK1A

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-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 — — EP claimed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO claimed
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 — — EP disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO disclosed
Send feedback