SCHEMBL28637666

SCHEMBL28637666

NC(=O)c1c[nH]nc1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
PARP1 P09874 2/20 0.43
DHODH Q02127 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
CDC7 O00311 1/20 0.43
PIN1 Q13526 1/20 0.41
LRRK2 Q5S007 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39

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
SCHEMBL25353607 0.86 PIN1 (0.49) DHODHPIN1LRRK2NPSR1KDM4E
SCHEMBL14693590 0.79 F2 (0.41) PIN1POLB
SCHEMBL29074720 0.77 CHEK2 (0.55) CDC7LRRK2KDM4ECYP1A2ALDH1A1
SCHEMBL7666259 0.77 KDM4E (0.47) PARP1DHODHCDC7KDM4ELMNA
SCHEMBL3620548 0.77 GRM5 (0.51) GRM5PARP1DHODHPARP2CDC7
SCHEMBL29455925 0.76 GRM5 (0.50) GRM5PARP1DHODHPARP2CDC7
SCHEMBL18765294 0.75 NPSR1 (0.48) GRM5PARP1DHODHPARP2CDC7
SCHEMBL31395013 0.75 NPSR1 (0.48) GRM5PARP1DHODHPARP2CDC7
SCHEMBL28122655 0.75 PIN1 (0.41) GRM5PARP1DHODHPARP2CDC7
SCHEMBL3579139 0.75 KDM4E (0.46) LRRK2KDM4ELMNACYP1A2POLB

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
CN-119462601-A Anthranilamide compound, preparation method thereof and application of anthranilamide compound as pesticide 扬州工业职业技术学院 2025-02-18 CN disclosed
CN-118055926-A ROCK2 inhibitors and uses thereof 哈佛大学的校长及成员们 2024-05-17 CN disclosed
CN-109912585-B Pyridine pyrazole-4-formamide compound based on sulfur-containing functional group and preparation method and application thereof 江苏耘农化工有限公司 2021-09-17 CN disclosed