SCHEMBL27807596

SCHEMBL27807596

CCN1CCC(C(=O)O)CC1.Cc1ccc(Nc2ncc(-c3ccc(OC(F)F)cc3)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ PTK2 Q05397 2/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ POLB P06746 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ MELK Q14680 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 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
SCHEMBL3651887 0.86 PTK2 (0.47) PTK2POLBS1PR5SYK
SCHEMBL3644492 0.86 LTA4H (0.49) EGFRPTK2S1PR5SYKHDAC1
SCHEMBL3647442 0.85 LTA4H (0.42) GRM5EGFRBTKPTK2POLB
SCHEMBL3650935 0.84 ACHE (0.40) ABL1EGFRBTKPTK2POLB
SCHEMBL12442985 0.83 L3MBTL1 (0.42) GRM5EGFRBTKPTK2POLB
SCHEMBL3654033 0.82 EGFR (0.39) GRM5ABL1EGFRBTKMELK
SCHEMBL3651931 0.82 GRM5 (0.40) GRM5EGFRBTKPTK2CSNK2A1
SCHEMBL12443126 0.82 EGFR (0.39) GRM5EGFRBTKPOLBCNR2
SCHEMBL3652561 0.81 EGFR (0.40) ABL1EGFRBTKPTK2POLB
SCHEMBL3650207 0.81 GPR6 (0.41) EGFRBTKPTK2POLBTDP1

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
CN-101784530-A 5- (4- (haloalkoxy) phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC 2010-07-21 — — CN claimed
CN-101784530-A 5- (4- (haloalkoxy) phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC 2010-07-21 — — CN disclosed
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