SCHEMBL31240437

SCHEMBL31240437

NC(=O)c1cccc(-c2cc3c(-c4ccc5[nH]nc(N)c5c4)ccnc3[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 7/20 0.55
▸ CHUK O15111 6/20 0.55
▸ INSR P06213 6/20 0.55
▸ CAMKK2 Q96RR4 6/20 0.55
▸ PRKCI P41743 1/20 0.54
▸ CLK2 P49760 6/20 0.53
▸ DYRK1A Q13627 6/20 0.53
▸ CLK3 P49761 5/20 0.53
▸ CCNT1 O60563 1/20 0.51
▸ CDK9 P50750 1/20 0.51
▸ MAP2K4 P45985 1/20 0.48
▸ NUDT1 P36639 1/20 0.47
▸ TTK P33981 1/20 0.46
▸ FYN P06241 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ PIM1 P11309 1/20 0.45

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
SCHEMBL31240495 0.92 CLK2 (0.53) MAPK8CHUKINSRCAMKK2PRKCI
SCHEMBL31240700 0.86 CLK2 (0.58) CLK2DYRK1ACLK3
SCHEMBL31240705 0.86 CLK2 (0.57) MAPK8CHUKINSRCAMKK2CLK2
SCHEMBL31240587 0.86 CLK2 (0.56) CLK2DYRK1ACLK3CCNT1CDK9
SCHEMBL31240405 0.84 CLK2 (0.59) CLK2DYRK1ACLK3EGFR
SCHEMBL31240414 0.84 CCNT1 (0.49) MAPK8CHUKINSRCAMKK2CLK2
SCHEMBL31240434 0.84 CHUK (0.57) MAPK8CHUKINSRCAMKK2CLK2
SCHEMBL31240596 0.82 CLK2 (0.48) MAPK8CHUKINSRCAMKK2CLK2
SCHEMBL31240306 0.81 DYRK1A (0.71) CLK2DYRK1ACLK3
SCHEMBL31420159 0.81 NUDT1 (0.60) MAPK8CHUKINSRCAMKK2CLK2

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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