SCHEMBL22023318

SCHEMBL22023318

Nc1cc(NCC2CCCOC2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 5/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ CLK1 P49759 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ DYRK1B Q9Y463 1/20 0.41
▸ IRAK1 P51617 1/20 0.39
▸ SCN5A Q14524 2/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ GRM4 Q14833 6/20 0.37
▸ EGLN2 Q96KS0 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ NAMPT P43490 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.36

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
SCHEMBL22023299 0.83 KCNH3 (0.44) CCNT1CDK9GRM4EGLN2
SCHEMBL22023245 0.75 BACE1 (0.43) GRM4EGLN2
SCHEMBL10994631 0.74 CCNT1 (0.49) CCNT1CDK9CLK1CLK2CLK3
SCHEMBL29596566 0.72 FGFR4 (0.46) CCNT1CLK1CLK2CLK3DYRK1A
SCHEMBL22079446 0.72 FGFR4 (0.46) CCNT1CLK1CLK2CLK3DYRK1A
SCHEMBL22699596 0.71 EPHX1 (0.45) CCNT1CDK9CLK1CLK2CLK3
SCHEMBL22680868 0.71 CNR2 (0.41) CCNT1CDK9CLK1CLK2CLK3
Hydrochloric Acid SCHEMBL9388001 0.69 CCNT1 (0.39) CCNT1CDK9CLK1CLK2CLK3
SCHEMBL1225735 0.69 MCHR1 (0.36) CCNT1CDK9CLK1CLK2CLK3
SCHEMBL1225969 0.69 MCHR1 (0.36) CCNT1CDK9CLK1CLK2CLK3

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
EP-3663285-A1 FORMYLPYRIDINE DERIVATIVE HAVING FGFR4 INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2020-06-10 — — EP disclosed
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