SCHEMBL25385758

SCHEMBL25385758

COCc1ccnc(NC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TEAD4 Q15561 2/20 0.45
▸ ACHE P22303 5/20 0.45
▸ NR3C2 P08235 3/20 0.43
▸ HTR7 P34969 4/20 0.42
▸ P4HB P07237 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLC2A1 P11166 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
SCHEMBL13543776 0.78 ACHE (0.40) ACHEMEN1KMT2AMAPTMAPK1
SCHEMBL20241590 0.72 KMT2A (0.47) TEAD4ACHEHTR7KMT2A
SCHEMBL12895543 0.72 DYRK1A (0.38) NR3C2MEN1KMT2A
SCHEMBL12883363 0.71 TYK2 (0.39) NR3C2MEN1KMT2A
SCHEMBL2118728 0.69 NOS3 (0.64) MEN1KMT2A
SCHEMBL29883563 0.69 NOS3 (0.64) MEN1KMT2A
SCHEMBL13036454 0.69 NR3C2 (0.49) NR3C2MEN1KMT2ASMN1; SMN2
Alcohol SCHEMBL14813490 0.68 KDM4E (0.54) TEAD4P4HBMAPTSMN1; SMN2
SCHEMBL28056162 0.67 MAOA (0.44) —
SCHEMBL20241559 0.66 ACHE (0.65) ACHEMEN1KMT2A

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
CN-116693555-A Imidazopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-09-05 — — CN disclosed
WO-2023160475-A1 IMIDAZOPYRIDAZINE DERIVATIVE, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 上海赛默罗生物科技有限公司 2023-08-31 — — WO disclosed
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