SCHEMBL31069482

SCHEMBL31069482

Cc1ccc2nc(C(N)CN)c3ncc(C)n3c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.59
CHUK O15111 8/20 0.59
CDK11B P21127 2/20 0.59
CDK7 P50613 2/20 0.59
CDK13 Q14004 2/20 0.59
MAP3K19 Q56UN5 2/20 0.59
MYLK4 Q86YV6 2/20 0.59
CDK11A Q9UQ88 2/20 0.59
ERN1 O75460 1/20 0.59
RPS6KA4 O75676 1/20 0.59
PRKD3 O94806 1/20 0.59
CDK1 P06493 1/20 0.59
KIT P10721 1/20 0.59
CDK2 P24941 1/20 0.59
TYK2 P29597 1/20 0.59
CSNK1D P48730 1/20 0.59
CDK9 P50750 1/20 0.59
LIMK1 P53667 1/20 0.59
CDK16 Q00536 1/20 0.59
MAPK7 Q13164 1/20 0.59

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
SCHEMBL18344276 1.00 IKBKB (0.59) IKBKBCHUKCDK11BCDK7CDK13
Hydrochloric Acid SCHEMBL31069492 0.99 IKBKB (0.60) IKBKBCHUKCDK11BCDK7CDK13
SCHEMBL17995389 0.75 IKBKB (0.62) IKBKBCHUKCDK11BCDK7CDK13
SCHEMBL4981355 0.74 IKBKB (0.66) IKBKBCHUKCDK11BCDK7CDK13
Bms-345541 SCHEMBL118886 0.74 IKBKB (1.00) IKBKBCHUKCDK11BCDK7CDK13
Bms-345541 SCHEMBL29670419 0.74 IKBKB (1.00) IKBKBCHUKCDK11BCDK7CDK13
Bms-345541 SCHEMBL14141907 0.73 IKBKB (1.00) IKBKBCHUKCDK11BCDK7CDK13
Bms-345541 SCHEMBL30120667 0.73 IKBKB (1.00) IKBKBCHUKCDK11BCDK7CDK13
SCHEMBL25735941 0.70 IKBKB (0.80) IKBKBCHUKCDK11BCDK7CDK13
SCHEMBL5991049 0.65 IKBKB (0.52) IKBKBCHUKCDK11BCDK7CDK13

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
US-20240252688-A1 COMPOSITIONS AND METHODS FOR ENHANCED PROTEIN PRODUCTION HDT BIO CORP. 2024-08-01 US disclosed