SCHEMBL5779608

SCHEMBL5779608

O=CCc1cccc(Cc2ncc[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 0.60
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
BRD4 O60885 1/20 0.36
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL31414967 0.88 TAAR1 (0.75) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL10603087 0.83 TAAR1 (0.63) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL3749613 0.81 TAAR1 (0.64) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL10719843 0.79 TAAR1 (0.66) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL7497723 0.78 HRH3 (0.34) TAAR1
SCHEMBL535040 0.78 TAAR1 (0.64) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL10463711 0.78 TAAR1 (0.64) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL535567 0.78 TAAR1 (0.64) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL10997900 0.78 TAAR1 (0.64) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL11567295 0.78 TAAR1 (0.64) TAAR1HTR1AADRA2AADRA2BADRA2C

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
EP-1648875-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO disclosed