SCHEMBL30173406

SCHEMBL30173406

COCCN1CC2(CCC(n3cc(N)cn3)CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 15/20 0.35
FGFR2 P21802 14/20 0.35
FGFR3 P22607 14/20 0.35
HDAC2 Q92769 1/20 0.31
ACVR1 Q04771 1/20 0.31
KDM5A P29375 1/20 0.31
IGF1R P08069 1/20 0.31
WNT1 P04628 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL30173410 0.84 ACHE (0.35) KDM5AWNT1GSK3BDYRK1A
SCHEMBL13727751 0.83 FGFR1 (0.46) FGFR1FGFR2FGFR3ACVR1KDM5A
SCHEMBL30173403 0.82 KDM5A (0.35) ACVR1KDM5AGSK3BDYRK1A
SCHEMBL30173405 0.78 ACHE (0.34) FGFR1FGFR2FGFR3KDM5A
SCHEMBL23622964 0.77 KDM5A (0.36) ACVR1KDM5A
SCHEMBL30173398 0.76 KAT2B (0.35) FGFR1FGFR2FGFR3HDAC2ACVR1
SCHEMBL28214771 0.72 KDM5A (0.38) ACVR1KDM5A
SCHEMBL173506 0.70
SCHEMBL17076859 0.70 GSK3B (0.38) ACVR1KDM5AGSK3BDYRK1A
SCHEMBL24327679 0.69 ALDH1A1 (0.37)

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-112771032-B Pyrimidine pyrazole compounds as fourth generation EGFR inhibitors 江苏先声药业有限公司 2023-01-03 CN disclosed