SCHEMBL31240601

SCHEMBL31240601

COCCC(=O)Nc1cccc(-c2cc3c(Cl)ccnc3[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.51
▸ MAPK8 P45983 2/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ EGFR P00533 2/20 0.46
▸ KDR P35968 1/20 0.43
▸ CHUK O15111 2/20 0.43
▸ INSR P06213 1/20 0.43
▸ CAMKK2 Q96RR4 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ ITK Q08881 1/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ AURKA O14965 2/20 0.41
▸ AURKB Q96GD4 2/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ F2R P25116 2/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL31240797 0.81 ALDH1A1 (0.56) KDRLMNASMN1; SMN2
SCHEMBL31240483 0.79 MAP4K4 (0.53) MAP4K4MAPK8EGFRKDRCHUK
SCHEMBL31240792 0.79 CHUK (0.53) MAPK8CHUKINSRCAMKK2ITK
SCHEMBL31240796 0.75 CHUK (0.42) MAPK8EGFRCHUKINSRCAMKK2
SCHEMBL31240646 0.75 CHUK (0.62) MAPK8CHUKINSRCAMKK2IKBKB
SCHEMBL2444894 0.73 CCNB2 (0.64) CHUKIKBKBCSF1R
SCHEMBL31240729 0.72 CD74 (0.50) MAPK8EGFRCHUKINSRCAMKK2
SCHEMBL31240751 0.72 CCNB2 (0.61) EGFRCSF1R
SCHEMBL31240620 0.72 PRKCI (0.54) MAP4K4MAPK8EGFRKDRCHUK
SCHEMBL16041244 0.70 CDC7 (0.59) EGFRAURKAAURKBCSF1RLMNA

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-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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