SCHEMBL30552534

SCHEMBL30552534

Oc1ccccc1-c1cc2c(C3CNC3)c[nH]c2nn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 10/20 0.40
▸ SMARCA2 P51531 9/20 0.40
▸ SMARCA4 P51532 9/20 0.40
▸ IKBKB O14920 4/20 0.40
▸ CHUK O15111 1/20 0.40
▸ NR1I2 O75469 6/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ JAK2 O60674 1/20 0.36
▸ NR1H2 P55055 2/20 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
SCHEMBL24461290 1.00 PBRM1 (0.40) PBRM1SMARCA2SMARCA4IKBKBCHUK
SCHEMBL24461294 0.91 IKBKB (0.44) PBRM1SMARCA2SMARCA4IKBKBCHUK
SCHEMBL29619417 0.88 IKBKB (0.48) PBRM1SMARCA2SMARCA4IKBKBCHUK
SCHEMBL22777062 0.88 IKBKB (0.48) PBRM1SMARCA2SMARCA4IKBKBCHUK
SCHEMBL24461315 0.85 KDM4E (0.39) PBRM1SMARCA2SMARCA4IKBKBNR1I2
SCHEMBL27052473 0.85 PBRM1 (0.39) PBRM1SMARCA2SMARCA4IKBKBCHUK
SCHEMBL22790943 0.83 CYP1A2 (0.49) PBRM1SMARCA2SMARCA4
SCHEMBL24461486 0.82 HSD11B1 (0.38) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL24461436 0.82 PBRM1 (0.38) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL24461129 0.82 SMARCA2 (0.45) PBRM1SMARCA2SMARCA4IKBKBNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116744929-A Compounds and uses thereof 福霍恩治疗公司 2023-09-12 — — CN disclosed
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