SCHEMBL19985968

SCHEMBL19985968

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7sc6c54)n3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL16867220 0.95 LIMK1 (0.31) LIMK1ADORA2AADORA1
SCHEMBL18086391 0.95 LIMK1 (0.31) LIMK1ADORA2AADORA1
SCHEMBL22199909 0.94 LIMK1 (0.32) LIMK1ADORA2AADORA1
SCHEMBL19985956 0.93 MEN1 (0.31) LIMK1
SCHEMBL19986036 0.93 EGLN1 (0.31)
SCHEMBL18086359 0.89 LIMK1 (0.30) LIMK1ADORA2AADORA1
SCHEMBL18086405 0.89 TNKS (0.30)
SCHEMBL22708574 0.88 LIMK1 (0.36) LIMK1
SCHEMBL19985958 0.88 MEN1 (0.30)
SCHEMBL19986185 0.88 MAPT (0.34) ADORA2AADORA1

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
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed