SCHEMBL6513368

SCHEMBL6513368

Cc1cc(C)nc(N=C(N)Nc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 5/20 1.00
CRHR2 Q13324 5/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
MAPT P10636 1/20 1.00
RAB9A P51151 3/20 0.67
MAPK1 P28482 3/20 0.67
POLB P06746 2/20 0.66
LMNA P02545 2/20 0.66
NPSR1 Q6W5P4 1/20 0.66
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
KDM4E B2RXH2 1/20 0.64
GAA P10253 1/20 0.64
HTT P42858 1/20 0.64
NR4A1 P22736 1/20 0.63
ALDH1A1 P00352 1/20 0.62
HCRTR1 O43613 1/20 0.62
CAMK2D Q13557 1/20 0.61

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
SCHEMBL10498926 0.91 CRHBP (0.83) CRHBPCRHR2MEN1KMT2ASMN1; SMN2
SCHEMBL6510821 0.89 CRHBP (0.80) CRHBPCRHR2MEN1KMT2ASMN1; SMN2
SCHEMBL4099599 0.82 CRHBP (0.78) CRHBPCRHR2MEN1KMT2ASMN1; SMN2
SCHEMBL6506989 0.82 CRHBP (0.70) CRHBPCRHR2MEN1KMT2ASMN1; SMN2
SCHEMBL6510690 0.81 CRHBP (0.68) CRHBPCRHR2MEN1KMT2ASMN1; SMN2
SCHEMBL6514940 0.81 CRHBP (0.68) CRHBPCRHR2MEN1KMT2ASMN1; SMN2
SCHEMBL6509819 0.81 RAB9A (1.00) CRHBPCRHR2MEN1KMT2ASMN1; SMN2
SCHEMBL6515782 0.80 KMT2A (0.74) CRHBPCRHR2MEN1KMT2ASMN1; SMN2
SCHEMBL6513445 0.79 CRHBP (0.65) CRHBPCRHR2MEN1KMT2ASMN1; SMN2
SCHEMBL10501783 0.77 MAPK1 (0.76) CRHBPCRHR2MEN1KMT2ASMN1; SMN2

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