SCHEMBL24953333

SCHEMBL24953333

CNCCCCNC1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.67
GNAO1 P09471 6/20 0.67
GNAI1 P63096 6/20 0.67
SOS1 Q07889 1/20 0.42
KCNH2 Q12809 1/20 0.41
EPHX1 P07099 3/20 0.40
SIGMAR1 Q99720 1/20 0.38
RAD52 P43351 1/20 0.38
DPP7 Q9UHL4 1/20 0.35
HRH4 Q9H3N8 4/20 0.33
HRH3 Q9Y5N1 4/20 0.33

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
SCHEMBL8851713 0.96 GNAI3 (0.61) GNAI3GNAO1GNAI1SOS1KCNH2
SCHEMBL6247785 0.89 GNAI3 (0.73) GNAI3GNAO1GNAI1SOS1KCNH2
SCHEMBL8851875 0.87 GNAI3 (0.55) GNAI3GNAO1GNAI1SOS1KCNH2
SCHEMBL8682833 0.84 GNAI3 (0.67) GNAI3GNAO1GNAI1SOS1KCNH2
SCHEMBL3265058 0.83 GNAI3 (0.92) GNAI3GNAO1GNAI1SOS1KCNH2
SCHEMBL19604164 0.82 GNAI3 (0.96) GNAI3GNAO1GNAI1KCNH2EPHX1
SCHEMBL19604163 0.82 GNAI3 (0.96) GNAI3GNAO1GNAI1KCNH2EPHX1
SCHEMBL27763474 0.82 GNAI3 (0.96) GNAI3GNAO1GNAI1KCNH2EPHX1
SCHEMBL28793539 0.82 GNAI3 (0.96) GNAI3GNAO1GNAI1KCNH2EPHX1
SCHEMBL7319928 0.82 GNAI3 (0.96) GNAI3GNAO1GNAI1KCNH2EPHX1

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
EP-4177258-A1 ARYLPHOSPHINE OXIDE COMPOUNDS AND USE THEREOF Chengdu Di'Ao Jiuhong Pharmaceutical Factory (CN) 2023-05-10 EP disclosed
EP-3656769-B1 ARYL-PHOSPHORUS-OXYGEN COMPOUND AS EGFR KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2023-01-25 EP disclosed