SCHEMBL646772

SCHEMBL646772

CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2snnc2C)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 2/20 0.40
TRPC3 Q13507 1/20 0.38
ORAI1 Q96D31 1/20 0.38
TRPC5 Q9UL62 1/20 0.38
POLB P06746 2/20 0.36
RXRA P19793 3/20 0.36
PPARG P37231 1/20 0.36
NR1H3 Q13133 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
MGAT2 Q10469 1/20 0.35
MAPT P10636 5/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL646789 0.93 CRACR2A (0.41) CRACR2ATRPC3ORAI1TRPC5POLB
SCHEMBL645672 0.87 CRACR2A (0.41) CRACR2ATRPC3ORAI1TRPC5POLB
SCHEMBL645712 0.86 POLB (0.41) CRACR2ATRPC3ORAI1TRPC5POLB
SCHEMBL649245 0.84 STING1 (0.40) RXRAPPARGNR1H3ACSS2MAPT
SCHEMBL645898 0.84 SMN1; SMN2 (0.41) CRACR2ARXRAPPARGNR1H3ACSS2
SCHEMBL648071 0.83 MAPT (0.44) POLBRXRAPPARGNR1H3MAPT
SCHEMBL646066 0.83 ACSS2 (0.37) ORAI1RXRAPPARGNR1H3ACSS2
SCHEMBL648215 0.83 MEN1 (0.40) POLBRXRAPPARGNR1H3ACSS2
SCHEMBL646756 0.82 EPHX2 (0.36) RXRAPPARGNR1H3ACSS2MAPT
SCHEMBL646791 0.82 NPC1 (0.40) RXRAPPARGNR1H3ACSS2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US claimed
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed