SCHEMBL5265869

SCHEMBL5265869

Cc1nn(C)c(NN)c1N.Cn1nc(-c2ccccc2)c(N)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
CDK8 P49336 2/20 0.43
ACVR1 Q04771 1/20 0.43
CSF1R P07333 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
CSNK1A1 P48729 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
PRKCQ Q04759 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
BRD4 O60885 1/20 0.39
POLB P06746 3/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL33804 0.82 MAPT (0.55) MAPTCDK8ACVR1CSF1RFGFR1
Hydrochloric Acid SCHEMBL6259439 0.81 MAPT (0.53) MAPTCDK8ACVR1CSF1RFGFR1
SCHEMBL33611 0.77 KDM4E (0.37) MAPTCDK8ACVR1KDRCSNK1A1
SCHEMBL6258173 0.76 SMN1; SMN2 (0.57) MAPTCDK8ACVR1CSF1RFGFR1
Hydrochloric Acid SCHEMBL7113352 0.75 KDM4E (0.36) MAPTCDK8ACVR1KDRCSNK1A1
SCHEMBL11656557 0.71 MAPT (0.58) MAPTCDK8ACVR1CSF1RFGFR1
SCHEMBL13860397 0.71 CDK8 (0.50) MAPTCDK8ACVR1CSF1RFGFR1
SCHEMBL4214390 0.71 MAPT (0.58) MAPTCDK8ACVR1CSF1RFGFR1
SCHEMBL1798141 0.70 MAPT (0.49) MAPTCDK8ACVR1POLBSMN1; SMN2
SCHEMBL19926278 0.68 MAPT (0.68) MAPTCDK8ACVR1CSF1RFGFR1

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-1406577-B1 NOVEL COUPLER COMPONENTS FOR OXIDATIVE HAIR COLOURING HENKEL KGAA (DE) 2007-10-10 EP disclosed