SCHEMBL20145344

SCHEMBL20145344

CCOc1cnc2c(N)nc(N)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 7/20 0.43
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ F2R P25116 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TERT O14746 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL19520168 0.77 KCNH2 (0.58) DHFRKCNH2HRH4HRH3CDK1
SCHEMBL20780662 0.74 CCR1 (0.45) DHFR
SCHEMBL22368543 0.74 TLR8 (0.45) LMNASMN1; SMN2KCNH2HRH4HRH3
SCHEMBL10375776 0.73 DHFR (0.42) DHFRHRH4HRH3
SCHEMBL18109700 0.71 TLR8 (0.64) KCNH2
SCHEMBL22256188 0.70 HTT (0.45) DHFRKMT2AHRH4
SCHEMBL20145315 0.70 TLR8 (0.44) DHFR
SCHEMBL1219738 0.70 TLR8 (0.44) DHFR
SCHEMBL24506585 0.70 KDM4E (0.40) DHFRMAPTKCNH2HRH4HRH3
SCHEMBL14819956 0.70 KDM4E (0.36) DHFRLMNAF2RALDH1A1KCNH2

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
EP-3507288-B1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE DERIVATIES AS TOLL LIKE RECEPTOR MODULATORS GILEAD SCIENCES INC (US) 2020-08-26 — — EP disclosed
EP-3321265-A1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR UTILISATION AS MODULATORS OF TOLL-LIKE RECEPTORS Gilead Sciences, Inc. (US) 2018-05-16 — — EP disclosed
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