SCHEMBL28164308

SCHEMBL28164308

CC(C)Sc1ccccc1Cc1ncc2[nH]ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ ELANE P08246 1/20 0.33
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ GPR84 Q9NQS5 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
SCHEMBL28164297 0.86 ADORA3 (0.34) HTR2CHTR2B
SCHEMBL28164815 0.76 TTK (0.33) HTR2CHTR2B
SCHEMBL28292528 0.76 POLB (0.38) POLBELANE
SCHEMBL28292558 0.74 ALOX5AP (0.38) HTR2CHTR2BGPR84
SCHEMBL19362470 0.69 ADORA2A (0.39) —
SCHEMBL28164295 0.67 TAAR1 (0.49) POLBHTR2CHTR2BGPR84
SCHEMBL19619651 0.66 MAPK1 (0.35) —
SCHEMBL19930116 0.65 PIP4K2C (0.41) —
SCHEMBL28164810 0.63 IDO1 (0.43) —
SCHEMBL2611063 0.63 APP (0.35) POLB

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
CN-107074866-B Pyrimido-pyrrole compound, preparation method thereof, medicinal composition and application thereof 厦门大学 2019-06-07 — — CN claimed
CN-107074866-A Pyrimido-pyrrole compound, preparation method thereof, medicinal composition and application thereof 厦门大学 2017-08-18 — — CN claimed
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