SCHEMBL31240697

SCHEMBL31240697

Clc1ccnc2[nH]c(-c3cccc(OCC4CCOCC4)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.46
CSF1R P07333 9/20 0.45
CDC7 O00311 1/20 0.43
PIM1 P11309 1/20 0.43
CDK9 P50750 1/20 0.43
TBK1 Q9UHD2 6/20 0.43

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
SCHEMBL31240783 0.86 CSF1R (0.43) CSF1RCDC7PIM1CDK9TBK1
SCHEMBL31240661 0.80 CAMKK2 (0.51) CDC7PIM1CDK9
SCHEMBL31240808 0.79 TBK1 (0.49) CYP2D6CDC7TBK1
SCHEMBL31240481 0.79 TBK1 (0.49) CYP2D6TBK1
SCHEMBL2444894 0.77 CCNB2 (0.64) CSF1RCDC7PIM1CDK9
SCHEMBL31240735 0.76 CCNB2 (0.45) CSF1RCDC7PIM1CDK9
SCHEMBL31240374 0.74 MAOA (0.43) CSF1RCDC7PIM1CDK9
SCHEMBL14115573 0.74 CSF1R (0.45) CSF1RCDC7PIM1CDK9
SCHEMBL31240811 0.74 TBK1 (0.56) CSF1RCDC7PIM1CDK9TBK1
SCHEMBL31240775 0.74 MEN1 (0.47) CDC7PIM1CDK9

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