SCHEMBL29928992

SCHEMBL29928992

CN1CCCC1COc1ccc(C2(N)N=C(N)NN2c2cnc3ccccc3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.57
CHRNB2 P17787 7/20 0.46
CHRNB1 P11230 6/20 0.46
CHRNB4 P30926 6/20 0.46
CHRNA3 P32297 6/20 0.46
CHRNB3 Q05901 6/20 0.46
CHRNA4 P43681 4/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNA7 P36544 1/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
HSF1 Q00613 2/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 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
SCHEMBL4992964 0.72 AXL (0.76) AXL
SCHEMBL7364566 0.69 CHRNB2 (0.78) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL9242858 0.68 CHRNB4 (0.70) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL9243572 0.68 CHRNB4 (0.70) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL7516445 0.68 CHRNB2 (0.76) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL6192460 0.67 CHRNB2 (0.63) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL6192462 0.67 CHRNB2 (0.63) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL29927981 0.67 BACE1 (0.59) AXL
Hydrochloric Acid SCHEMBL9243326 0.67 CHRNB4 (0.68) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL9243322 0.67 CHRNB4 (0.68) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3

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
CN-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN disclosed