SCHEMBL8585646

SCHEMBL8585646

CCCNc1cc(C)nc(N)n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.81
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
HRH4 Q9H3N8 4/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C19 P33261 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL20434306 0.89 TLR8 (1.00) TLR8MEN1KMT2AALDH1A1LMNA
SCHEMBL2849398 0.88 TLR8 (0.90) TLR8MEN1KMT2ACYP1A2CYP2D6
SCHEMBL5791298 0.86 TLR8 (0.88) TLR8MEN1KMT2ACYP1A2CYP2D6
SCHEMBL6128303 0.85 TLR8 (0.69) TLR8MEN1KMT2ACYP1A2CYP2D6
SCHEMBL29442374 0.84 TLR8 (0.78) TLR8MEN1KMT2ACYP1A2CYP2D6
SCHEMBL26345520 0.84 TLR8 (0.78) TLR8MEN1KMT2ACYP1A2CYP2D6
SCHEMBL8597545 0.80 CYP2D6 (0.70) TLR8KMT2ACYP2D6HRH4GAA
SCHEMBL16608745 0.79 DNM2 (0.61) TLR8MEN1KMT2ACYP1A2GAA
SCHEMBL17985629 0.78 TLR8 (0.69) TLR8MEN1KMT2ACYP1A2CYP2D6
SCHEMBL13097151 0.78 GAA (0.65) TLR8MEN1KMT2ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998020878-A1 5-[φ-(SUBSTITUTED ARYL)ALKENYLENE AND ALKYNYLENE]-2,4-DIAMINOPYRIMIDINES AS PESTICIDES FMC CORPORATION (US) 1998-05-22 WO disclosed
US-5696259-A 2,4-diamino-5-iodopyrimidines useful as pesticide intermediates FMC CORPORATION (US) 1997-12-09 US disclosed
US-5622954-A INSECTICIDE FMC CORPORATION (US) 1997-04-22 US disclosed