SCHEMBL6509819

SCHEMBL6509819

Cc1cc(C)nc(N=C(N)Nc2ccccc2-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 1.00
KMT2A Q03164 4/20 0.67
CRHBP P24387 4/20 0.67
CRHR2 Q13324 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MEN1 O00255 3/20 0.67
MAPT P10636 1/20 0.67
SIGMAR1 Q99720 2/20 0.59
POLB P06746 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 2/20 0.59
LMNA P02545 4/20 0.54
AHR P35869 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NR4A1 P22736 1/20 0.53
ALDH1A1 P00352 2/20 0.52
RAD52 P43351 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPK1 P28482 2/20 0.50

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
SCHEMBL14862605 0.82 RAB9A (0.69) RAB9AKMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL6513368 0.81 CRHBP (1.00) RAB9AKMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL10498926 0.80 CRHBP (0.83) RAB9AKMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL6510821 0.78 CRHBP (0.80) RAB9AKMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL6515782 0.78 KMT2A (0.74) RAB9AKMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL6510690 0.77 CRHBP (0.68) RAB9AKMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL6514940 0.77 CRHBP (0.68) RAB9AKMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL9313164 0.75 SIGMAR1 (1.00) RAB9AKMT2AMEN1SIGMAR1ALDH1A1
SCHEMBL6508152 0.75 RAB9A (0.60) RAB9AKMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL4110628 0.74 RAB9A (0.58) RAB9AKMT2ACRHBPCRHR2SMN1; 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