SCHEMBL21581982

SCHEMBL21581982

NC(=O)Oc1ccncc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
SIRT3 Q9NTG7 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CA12 O43570 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
CA14 Q9ULX7 2/20 0.37
CDC7 O00311 1/20 0.37
CA1 P00915 3/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
SARM1 Q6SZW1 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
SIRT4 Q9Y6E7 1/20 0.36
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL9572481 0.82 DYRK1A (0.43) DYRK1ASIRT3TDP1CA12CA2
SCHEMBL5548862 0.81 DYRK1A (0.40) DYRK1ASIRT3TDP1CA12CA2
SCHEMBL27793494 0.81 CYP4F2 (0.44) LOXL2TDP1CA12CA2CA9
SCHEMBL29256723 0.79 KDM4E (0.48) DYRK1ASIRT3TDP1CA12CA2
SCHEMBL29159564 0.78 CDK8 (0.47) DYRK1ASIRT3TDP1CA12CA2
SCHEMBL21551047 0.78 DYRK1A (0.40) DYRK1ASIRT3TDP1CA12CA2
SCHEMBL21582000 0.78 SIRT3 (0.50) DYRK1ASIRT3TDP1CA12CA2
SCHEMBL27814739 0.77 ALOX15 (0.43) DYRK1ALOXL2MAPTMAP4K4PRKACA
SCHEMBL27793488 0.77 ALOX15 (0.43) LOXL2TDP1CA12CA2CA9
SCHEMBL31357097 0.77 DYRK1A (0.41) DYRK1AKMT2AKDM4EMEN1CDK8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024249642-A1 EGFR INHIBITORS ACERAND THERAPEUTICS (HONG KONG) LIMITED (CN) 2024-12-05 WO disclosed
CN-116997548-A HTT modulators for the treatment of huntington's disease CHDI基金会股份有限公司 2023-11-03 CN disclosed
CN-111801328-B Autotaxin inhibitors and uses thereof 四川海思科制药有限公司 2023-06-02 CN disclosed
EP-3728257-A1 AUTOTAXIN INHIBITORS AND USES THEREOF Fronthera U.S. Pharmaceuticals LLC (US) 2020-10-28 EP disclosed
CN-111801328-A Autotaxin inhibitors and uses thereof 弗朗塞拉美国制药有限责任公司 2020-10-20 CN disclosed
WO-2019228403-A1 AUTOTAXIN INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2019-12-05 WO disclosed