SCHEMBL14375486

SCHEMBL14375486

Cc1nc(C)c(-c2ccn(C(C)C)n2)s1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
CDK4 P11802 2/20 0.43
CDK2 P24941 2/20 0.43
CCNE1 P24864 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
COMT P21964 12/20 0.42
TRPV4 Q9HBA0 2/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL14401137 0.80 CDK4 (0.47) CDK4CDK2CCNE1LMNAHTT
SCHEMBL27015063 0.72 DYRK1A (0.48) DYRK1AHTTNPC1POLBRAB9A
SCHEMBL14335635 0.69 DYRK1A (0.41) DYRK1AMEN1KMT2APOLB
SCHEMBL28466268 0.69 DYRK1A (0.44) DYRK1ALMNAHTTNPC1MEN1
SCHEMBL5717577 0.68 CDK4 (0.38) CDK4CDK2CCNE1LMNAHTT
SCHEMBL27599944 0.68 CDK4 (0.38) CDK4CDK2CCNE1LMNAHTT
SCHEMBL27015076 0.68 PDE10A (0.45) DYRK1ACDK2MEN1KMT2A
SCHEMBL26038672 0.67 GRM6 (0.38) DYRK1ALMNA
SCHEMBL26038613 0.67 DYRK1A (0.35) DYRK1A
SCHEMBL26043404 0.67 GRM6 (0.41) DYRK1ALMNAMEN1KMT2APOLB

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
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed