SCHEMBL26889101

SCHEMBL26889101

CC(C)(C)NCc1cc2c(Cl)ccnc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.40
▸ PRKCI P41743 1/20 0.40
▸ NUDT1 P36639 1/20 0.39
▸ DAO P14920 1/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C8 P10632 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CCNK O75909 7/20 0.34
▸ CDK12 Q9NYV4 7/20 0.34
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL26686642 0.83 AXL (0.41) AXLPRKCINUDT1DAOCDC7
SCHEMBL3415919 0.81 AXL (0.44) AXLPRKCINUDT1DAOCDC7
SCHEMBL30571033 0.81 AXL (0.44) AXLPRKCINUDT1DAOCDC7
SCHEMBL26686124 0.79 AXL (0.38) AXLPRKCINUDT1DAOCDC7
SCHEMBL21429079 0.78 NUDT1 (0.59) AXLPRKCINUDT1DAOCDC7
SCHEMBL31420473 0.78 NUDT1 (0.59) AXLPRKCINUDT1DAOCDC7
SCHEMBL30716680 0.77 KDM5A (0.42) AXLPRKCINUDT1DAOCDC7
SCHEMBL21428737 0.77 KDM5A (0.42) AXLPRKCINUDT1DAOCDC7
SCHEMBL26889157 0.77 AXL (0.41) AXLPRKCINUDT1DAOCDC7
SCHEMBL26889243 0.76 CCNK (0.57) AXLPRKCINUDT1DAOCDC7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
Send feedback