SCHEMBL31194523

SCHEMBL31194523

CC(C)(C)n1ncc2c(Cl)nc(Cl)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 4/20 0.42
▸ PDE1C Q14123 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GAA P10253 1/20 0.38
▸ ADA P00813 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PDE8A O60658 1/20 0.35
▸ PDE5A O76074 1/20 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
SCHEMBL174841 1.00 PDE2A (0.42) PDE2APDE1CSMN1; SMN2MAPK1TSHR
SCHEMBL29175058 0.83 GAA (0.43) PDE2APDE1CSMN1; SMN2MAPK1TSHR
SCHEMBL55774 0.79 PDE2A (0.64) PDE2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29174759 0.79 PDE10A (0.43) PDE2APDE1CSMN1; SMN2MAPK1TSHR
SCHEMBL22521558 0.75 ABL1 (0.45) SMN1; SMN2MAPK1TSHRCYP1A2CYP2C9
SCHEMBL22805547 0.75 PDE2A (0.50) PDE2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29174833 0.75 PDE1C (0.34) PDE1CSMN1; SMN2MAPK1TSHRCYP1A2
SCHEMBL7904205 0.72 PLK4 (0.41) PDE2AMAPK1GAAALDH1A1
SCHEMBL2357706 0.71 KDM4E (0.43) PDE2APDE1CKMT2A
SCHEMBL2189832 0.71 ADORA3 (0.43) PDE2ASMN1; SMN2MAPK1TSHRCYP1A2

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-4719385-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS University of Vermont and State Agricultural College (US) 2026-04-08 — — EP disclosed
WO-2024249380-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-12-05 — — WO disclosed
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