SCHEMBL29127367

SCHEMBL29127367

Nc1ccc(-c2cc(N)cc3nc[nH]c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
KDM4E B2RXH2 5/20 0.43
MAPT P10636 5/20 0.43
RAD52 P43351 1/20 0.43
CYP3A4 P08684 2/20 0.40
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ASIC3 Q9UHC3 1/20 0.37
QPCT Q16769 2/20 0.36
QPCTL Q9NXS2 2/20 0.36
MAP3K11 Q16584 1/20 0.36
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL7090029 0.88 ADORA2A (0.51) PRKCIKDM4EMAPTRAD52CYP3A4
SCHEMBL28871077 0.74 ALDH1A1 (0.47) PRKCIKDM4EMAPTRAD52PARP1
SCHEMBL29127368 0.72 PRKCI (0.49) PRKCIKDM4EMAPTRAD52CYP3A4
SCHEMBL3071570 0.71 PRKCI (0.41) PRKCIKDM4EMAPTRAD52PARP1
SCHEMBL7035006 0.71 PRKCI (0.41) PRKCIKDM4EMAPTRAD52CYP3A4
SCHEMBL7028875 0.71 PRKCI (0.41) PRKCIKDM4EMAPTRAD52PARP1
SCHEMBL7090538 0.71 PRKCI (0.41) PRKCIKDM4EMAPTRAD52PARP1
SCHEMBL7032609 0.71 PRKCI (0.41) PRKCIKDM4EMAPTRAD52PARP1
SCHEMBL28272777 0.71 PRKCI (0.41) PRKCIKDM4EMAPTRAD52PARP1
SCHEMBL2915006 0.70 PRKCI (0.38) PRKCIKDM4EMAPTRAD52PARP1

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
CN-114805805-B Polyimide with high adhesive strength and preparation method and application thereof 深圳先进电子材料国际创新研究院 2023-12-19 CN disclosed