SCHEMBL22134970

SCHEMBL22134970

CC/C=C/Cn1c(N)nc2ccc(C(N)=O)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 3/20 0.48
▸ KMT2A Q03164 1/20 0.45
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ TLR8 Q9NR97 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ CHEK2 O96017 1/20 0.38
▸ F2R P25116 1/20 0.38
▸ MAP3K7 O43318 1/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37

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
SCHEMBL22121416 0.83 KMT2A (0.57) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL19437489 0.82 POLB (0.60) ACSS2KMT2ACYP1A2CYP2D6HTT
SCHEMBL19451751 0.78 KMT2A (0.42) KMT2ACYP1A2CYP2D6HTTTLR8
SCHEMBL22151665 0.77 KDM4E (0.55) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL22121494 0.77 KDM4E (0.50) ACSS2KMT2AHTTCHEK2F2R
SCHEMBL22121411 0.75 KMT2A (0.52) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL19436528 0.74 KMT2A (0.50) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL19436567 0.74 KMT2A (0.50) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL20066406 0.74 KMT2A (0.47) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL19437503 0.73 KMT2A (0.74) KMT2ACYP1A2CYP2D6HTTJAK2

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
WO-2020132566-A1 STING PYRAZOLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
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