SCHEMBL22235752

SCHEMBL22235752

O=C(Nc1ccc(CN2CCCC2)nc1)c1n[nH]cc1NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ CLK2 P49760 7/20 0.43
▸ CLK3 P49761 7/20 0.43
▸ DYRK1A Q13627 7/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ WNT1 P04628 5/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ METTL3 Q86U44 1/20 0.39
▸ MAPK7 Q13164 1/20 0.39

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
SCHEMBL22258547 0.89 LTA4H (0.39) CDK5CDK5R1CLK2CLK3DYRK1A
SCHEMBL22235826 0.85 WNT1 (0.46) CLK2CLK3DYRK1ATRPV1WNT1
SCHEMBL22236264 0.84 WNT1 (0.46) CLK2CLK3DYRK1ATRPV1WNT1
SCHEMBL22235999 0.83 CDK5 (0.62) CDK5CDK5R1HRH3ALDH1A1
SCHEMBL22236104 0.78 RXFP1 (0.47) ALDH1A1
SCHEMBL22235847 0.77 MEN1 (0.42) CLK2CLK3DYRK1AHTR2C
SCHEMBL22236099 0.75 NAMPT (0.53) GAAPOLBLTA4H
SCHEMBL22235940 0.74 EGFR (0.65) GAA
SCHEMBL17239852 0.73 HRH3 (0.46) HRH3GAATRPV1HTR2CMCHR1
SCHEMBL22258286 0.72 MAPT (0.49) GAAALDH1A1POLB

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
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 — — WO disclosed
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 — — WO disclosed
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