SCHEMBL6510020

SCHEMBL6510020

Cc1cc(C)nc(N=C(N)Nc2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.56
CRHR2 Q13324 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 2/20 0.54
POLB P06746 2/20 0.54
CYP2D6 P10635 1/20 0.54
NR4A1 P22736 1/20 0.50
RAD52 P43351 1/20 0.48
ADRA2A P08913 2/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
SIGMAR1 Q99720 3/20 0.46
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46

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
SCHEMBL6506989 0.90 CRHBP (0.70) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL6509097 0.84 MAPK1 (0.54) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL6510821 0.83 CRHBP (0.80) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL6508975 0.79 MEN1 (0.53) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL6513445 0.76 CRHBP (0.65) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL6513368 0.72 CRHBP (1.00) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL5923418 0.72 SMN1; SMN2 (0.53) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6509984 0.72 MAPK1 (0.54) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL10498926 0.71 CRHBP (0.83) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL6511099 0.68 CRHBP (0.57) CRHBPCRHR2MEN1KMT2AMAPT

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-2005095345-A2 HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-10-13 WO claimed