SCHEMBL31371552

SCHEMBL31371552

CC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(C(=O)NCCN(C)C)cc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.81
▸ AXL P30530 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CDK2 P24941 4/20 0.38
▸ CDK1 P06493 1/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ RAD52 P43351 2/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ PTGER2 P43116 1/20 0.36
▸ HIPK4 Q8NE63 1/20 0.36
▸ CACNA1H O95180 1/20 0.35
▸ CCNT1 O60563 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ MCHR2 Q969V1 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL2443328 1.00 MAPK14 (0.81) MAPK14AXLALDH1A1SMN1; SMN2CDK2
SCHEMBL2445182 0.95 MAPK14 (0.73) MAPK14AXLALDH1A1HTR2AHTR2C
SCHEMBL31371595 0.92 MAPK14 (0.72) MAPK14AXLALDH1A1HTR2AHTR2C
Arry-797 SCHEMBL29349798 0.90 MAPK14 (1.00) MAPK14ALDH1A1SMN1; SMN2CDK2CDK1
Arry-797 SCHEMBL222635 0.90 MAPK14 (1.00) MAPK14ALDH1A1SMN1; SMN2CDK2CDK1
Arry-797 SCHEMBL29351662 0.90 MAPK14 (1.00) MAPK14ALDH1A1SMN1; SMN2CDK2CDK1
Arry-797 SCHEMBL31046796 0.90 MAPK14 (1.00) MAPK14ALDH1A1SMN1; SMN2CDK2CDK1
SCHEMBL31371520 0.89 MAPK14 (0.70) MAPK14ALDH1A1HTR2CRAD52MCHR2
SCHEMBL2446702 0.87 MAPK14 (0.62) MAPK14AXLALDH1A1SMN1; SMN2CDK2
SCHEMBL2443317 0.87 MAPK14 (0.63) MAPK14ALDH1A1SMN1; SMN2MCHR2MCHR1

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-2025056518-A1 5,6-DISUBSTITUTED ALKYL 1H AND 2H-INDAZOLES AS DUAL BUTYRYLCHOLINESTERASE AND p38α MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES UNIVERZA V LJUBLJANI (SI) 2025-03-20 — — WO claimed
WO-2025056518-A1 5,6-DISUBSTITUTED ALKYL 1H AND 2H-INDAZOLES AS DUAL BUTYRYLCHOLINESTERASE AND p38α MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES UNIVERZA V LJUBLJANI (SI) 2025-03-20 — — WO disclosed
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