SCHEMBL22311486

SCHEMBL22311486

Cc1cc(CC(=O)Nc2cc[nH]n2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 11/20 0.49
CCNE1 P24864 2/20 0.48
CDK2 P24941 2/20 0.48
GSK3B P49841 2/20 0.48
RIOK2 Q9BVS4 3/20 0.47
MAPK10 P53779 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
MAPK8 P45983 1/20 0.45
GSK3A P49840 1/20 0.45
HIPK1 Q86Z02 1/20 0.45
SNRK Q9NRH2 1/20 0.45

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
SCHEMBL30519180 0.85 CCNE1 (0.56) CCNE1CDK2GSK3BMAPK10ALDH1A1
SCHEMBL3431712 0.80 L3MBTL1 (0.61) CDK2RIOK2MAPK10ALDH1A1SMN1; SMN2
SCHEMBL3421180 0.79 SMN1; SMN2 (0.57) WNT3AMAPK10ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3418702 0.76 CDK2 (0.57) CCNE1CDK2ALDH1A1SMN1; SMN2
SCHEMBL8566672 0.75 PSEN1 (0.48) WNT3ARIOK2MAPK10PSEN1PSEN2
SCHEMBL16126517 0.75 GLS (0.50) CDK2RIOK2ALDH1A1L3MBTL1MAPK8
SCHEMBL3423175 0.75 CCNB2 (0.63) CCNE1CDK2RIOK2MAPK10ALDH1A1
SCHEMBL3421534 0.75 GLS (0.50) WNT3ACDK2L3MBTL1MAPK8
SCHEMBL22286745 0.74 CDK2 (0.60) CCNE1CDK2GSK3B
SCHEMBL22286713 0.74 CDK2 (0.60) CCNE1CDK2GSK3B

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-2020157652-A2 CDK2 INHIBITORS PFIZER INC. (US) 2020-08-06 WO disclosed