SCHEMBL15330813

SCHEMBL15330813

O=Cc1ccc(-c2nc(-c3cccnc3)c[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.45
MAPK1 P28482 2/20 0.42
BTK Q06187 1/20 0.41
ERN1 O75460 2/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2A6 P11509 4/20 0.40
CYP2E1 P05181 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2B6 P20813 2/20 0.40
CYP2C19 P33261 2/20 0.40
PDGFRB P09619 1/20 0.40
METAP2 P50579 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL15330551 0.85 ALDH1A1 (0.43) MAPK1BTKCYP2A6PDGFRBSMN1; SMN2
SCHEMBL2561366 0.84 GSK3B (0.40) MAPK1ERN1ALDH1A1MAPT
SCHEMBL27584244 0.82 CYP19A1 (0.54) MAPK1PDGFRBMETAP2SIRT3CYP19A1
SCHEMBL17280234 0.80 CYP19A1 (0.49) TTKMAPK1BTKCYP3A4CYP2A6
SCHEMBL6268973 0.79 NPY5R (0.50) MAPK1BTKCYP3A4CYP2A6CYP2E1
SCHEMBL6172 0.78 CYP2A6 (0.60) TTKERN1CYP3A4CYP2A6CYP2E1
SCHEMBL30088429 0.78 CYP2A6 (0.60) TTKERN1CYP3A4CYP2A6CYP2E1
SCHEMBL2837699 0.77 CYP11B1 (0.51) MAPK1CYP3A4CYP2A6CYP19A1SMN1; SMN2
SCHEMBL15333235 0.77 HPGDS (0.42) MAPK1BTKSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL10558550 0.77 CYP19A1 (0.50) MAPK1CYP3A4CYP2A6CYP19A1ALDH1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed