SCHEMBL31240284

SCHEMBL31240284

COCCOc1cc(F)cc(-c2cc3c(-c4ccc5[nH]nc(N)c5c4)ccnc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 9/20 0.43
▸ DYRK1A Q13627 9/20 0.43
▸ CLK3 P49761 7/20 0.43
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ WNT1 P04628 6/20 0.40
▸ FYN P06241 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ EGFR P00533 2/20 0.38
▸ CSF1R P07333 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
SCHEMBL31240451 0.91 FYN (0.50) CLK2DYRK1ACLK3WNT1FYN
SCHEMBL31240498 0.87 CLK2 (0.52) CLK2DYRK1ACLK3CCNT1CDK9
SCHEMBL31240471 0.86 PRMT5 (0.48) CLK2DYRK1ACLK3CDK9WNT1
SCHEMBL31240708 0.82 TBK1 (0.46) —
SCHEMBL31240580 0.82 CLK2 (0.50) CLK2DYRK1ACLK3WNT1MAPK14
SCHEMBL31240700 0.80 CLK2 (0.58) CLK2DYRK1ACLK3
SCHEMBL31240412 0.80 CLK2 (0.51) CLK2DYRK1ACLK3WNT1MAPK14
SCHEMBL31240417 0.79 CCNB2 (0.53) CLK2DYRK1ACLK3FYNMAPK14
SCHEMBL31240490 0.79 CLK2 (0.47) CLK2DYRK1ACLK3WNT1MAPK14
SCHEMBL31240312 0.79 CLK2 (0.53) CLK2DYRK1ACLK3FYN

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
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