SCHEMBL9968245

SCHEMBL9968245

CCC(C)c1cc2c(cn1)c1cnccc1n2-c1cccc(C(c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccncc4c4cnc(C(C)CC)cc43)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.35
CDK6 Q00534 2/20 0.35
NTRK1 P04629 1/20 0.31
FGFR1 P11362 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
SCHEMBL9968173 0.77 MAT2A (0.35) CDK4CDK6FGFR1
SCHEMBL9968215 0.73 NFATC1 (0.30)
SCHEMBL9968146 0.68 MEN1 (0.33) FGFR1
SCHEMBL5030873 0.68 MAOA (0.42) FGFR1
SCHEMBL10018486 0.67 MAOA (0.41)
SCHEMBL24127584 0.67 L3MBTL1 (0.59)
SCHEMBL25799362 0.67 L3MBTL1 (0.59)
SCHEMBL10018488 0.67 CYP19A1 (0.33)
SCHEMBL12383089 0.67 RXFP1 (0.47) CDK4
SCHEMBL261834 0.67 RXFP1 (0.40)

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
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed