SCHEMBL9375937

SCHEMBL9375937

O=C(O)Nc1cn2nc(SCc3ccccc3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.49
MAPT P10636 4/20 0.44
RXFP1 Q9HBX9 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.41
TTK P33981 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CSNK1D P48730 2/20 0.39
RIPK1 Q13546 1/20 0.39
CSNK1E P49674 1/20 0.38

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
SCHEMBL9375894 0.82 RXFP1 (0.47) TP53MAPTRXFP1POLBLMNA
SCHEMBL3499006 0.81 TP53 (0.44) TP53MAPTRXFP1POLBCSNK1D
SCHEMBL3497078 0.81 TP53 (0.46) TP53MAPTRXFP1MEN1KMT2A
SCHEMBL9374217 0.80 TP53 (0.43) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL3498533 0.77 KDM4E (0.61) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL9374502 0.76 KDR (0.50) NPC1RAB9AKDM4ECSNK1DRIPK1
SCHEMBL10532315 0.76 NPC1 (0.70) TP53MAPTRXFP1MEN1KMT2A
SCHEMBL8966075 0.74 RXFP1 (0.44) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL19925108 0.73 KMT2A (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL253680 0.73 CSNK1D (0.44) NPC1RAB9AKDM4ECSNK1DCSNK1E

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
EP-0305093-B1 Imidazo(1,2-b)pyridazine derivatives WELLCOME FOUND (GB) 1994-04-06 EP disclosed