SCHEMBL14745854

SCHEMBL14745854

Cc1c(B2OC(C)(C)C(C)(C)O2)cnc(C(N)=O)c1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
UCHL1 P09936 1/20 0.33
DGAT1 O75907 1/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
LIPE Q05469 1/20 0.31
PARP1 P09874 1/20 0.31
IKBKB O14920 1/20 0.31
USP30 Q70CQ3 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL30831491 1.00 F11 (0.35) F11F2PRSS1PRSS2PRSS3
SCHEMBL16599602 0.86 UCHL1 (0.34) F11F2PRSS1PRSS2PRSS3
SCHEMBL16238349 0.81 F11 (0.36) F11F2PRSS1PRSS2PRSS3
SCHEMBL14745971 0.81 UCHL1 (0.33) F11F2PRSS1PRSS2PRSS3
SCHEMBL28504523 0.81 USP30 (0.34) F11F2PRSS1PRSS2PRSS3
SCHEMBL18302169 0.76 PDGFRB (0.34) PDGFRBKDR
Bicarbonate SCHEMBL13674697 0.75 F2 (0.33) F11F2PRSS1PRSS2PRSS3
SCHEMBL14746300 0.75 PDGFRB (0.45) F11F2PRSS1PRSS2PRSS3
SCHEMBL19744093 0.75 SIRT6 (0.37) F11F2PRSS1PRSS2PRSS3
SCHEMBL28811788 0.74 DGAT1 (0.34) UCHL1DGAT1LIPEUSP30ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117157299-B Tricyclic heterocyclic derivative, composition and application thereof 北京丹擎医药科技有限公司 2024-05-28 CN disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
CN-107207508-B 9H-pyrrolo-bipyridine derivatives UCB生物制药私人有限公司 2020-02-28 CN disclosed
EP-2751109-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS Incyte Corporation (US) 2014-07-09 EP disclosed
WO-2013033569-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 WO disclosed