SCHEMBL31240333

SCHEMBL31240333

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5ccc(NCCN6CCOCC6)nc5)cc34)cc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.46
▸ TBK1 Q9UHD2 7/20 0.45
▸ DYRK1A Q13627 2/20 0.44
▸ WNT1 P04628 1/20 0.44
▸ MAPK8 P45983 6/20 0.43
▸ CAMKK2 Q96RR4 6/20 0.43
▸ CHUK O15111 5/20 0.43
▸ INSR P06213 4/20 0.43
▸ CDK9 P50750 2/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CDK1 P06493 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ ATR Q13535 1/20 0.42
▸ MAP3K11 Q16584 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ CLK3 P49761 1/20 0.42

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
SCHEMBL31240589 0.84 TBK1 (0.60) TBK1DYRK1ACLK2CLK3
SCHEMBL31240247 0.83 JAK2 (0.67) JAK2TBK1MAPK8CAMKK2CHUK
SCHEMBL26686058 0.81 JAK2 (0.53) JAK2TBK1DYRK1AWNT1MAPK8
SCHEMBL31240352 0.81 TBK1 (0.61) JAK2TBK1DYRK1AMAPK8CAMKK2
SCHEMBL31240694 0.81 CDK9 (0.49) CDK9CCNT1CDK1CDK2CASP3
SCHEMBL31240546 0.81 CAMKK2 (0.54) JAK2TBK1DYRK1AWNT1MAPK8
SCHEMBL31240548 0.81 TBK1 (0.46) JAK2TBK1DYRK1AWNT1MAPK8
SCHEMBL26685929 0.80 JAK2 (0.61) JAK2DYRK1AWNT1
SCHEMBL31240622 0.80 DYRK1A (0.48) JAK2DYRK1AMAPK8CHUKCDK9
SCHEMBL26686172 0.79 JAK2 (0.51) JAK2TBK1DYRK1AWNT1MAPK8

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 claimed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO claimed
Send feedback