SCHEMBL29435763

SCHEMBL29435763

COc1ccnc(C(=N)N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.53
▸ NOS1 P29475 2/20 0.53
▸ NOS2 P35228 2/20 0.53
▸ PLAU P00749 2/20 0.53
▸ CCR1 P32246 1/20 0.52
▸ CCR5 P51681 1/20 0.52
▸ CCR8 P51685 1/20 0.52
▸ PRSS1 P07477 2/20 0.49
▸ PRSS2 P07478 2/20 0.49
▸ PRSS3 P35030 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.43
▸ DYRK1A Q13627 2/20 0.42
▸ PTGIR P43119 1/20 0.42
▸ GRM5 P41594 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ F10 P00742 1/20 0.38

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
SCHEMBL14266624 1.00 NOS3 (0.53) NOS3NOS1NOS2PLAUCCR1
Hydrochloric Acid SCHEMBL31037743 0.98 NOS3 (0.52) NOS3NOS1NOS2PLAUCCR1
Hydrochloric Acid SCHEMBL17893837 0.98 NOS3 (0.52) NOS3NOS1NOS2PLAUCCR1
SCHEMBL14266626 0.83 CCR1 (0.53) NOS3NOS1NOS2PLAUCCR1
SCHEMBL2624147 0.81 KDM4E (0.54) NOS3NOS1NOS2PLAUCCR1
SCHEMBL2624146 0.81 NOS3 (0.53) NOS3NOS1NOS2PLAUCCR1
SCHEMBL29435787 0.81 PARP10 (0.42) NOS3NOS1NOS2PLAUPRSS1
SCHEMBL17984689 0.81 PARP10 (0.42) NOS3NOS1NOS2PLAUPRSS1
SCHEMBL19486622 0.80 PRSS1 (0.41) PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL17984675 0.80 PLAU (0.34) NOS3NOS1NOS2PLAUPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431283-A Preparation method of 5-bromonaphtho [1,2-b ] benzofuran 中钢天源股份有限公司 2025-02-14 — — CN claimed
WO-2025264837-A1 NAPHTHYRIDINE GPR52 MODULATORS AND METHODS OF USE THEREOF LIEBER INSTITUTE, INC. (US) 2025-12-26 — — WO disclosed
CN-119431283-A Preparation method of 5-bromonaphtho [1,2-b ] benzofuran 中钢天源股份有限公司 2025-02-14 — — CN disclosed
EP-3959207-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2022-03-02 — — EP disclosed
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