SCHEMBL22323764

SCHEMBL22323764

COCOc1cc(Br)ccc1-c1cnc(Br)nn1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.33
ERBB2 P04626 1/20 0.33
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
GAA P10253 2/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C9 P11712 1/20 0.31
POLB P06746 1/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL29509557 1.00 EGFR (0.33) EGFRERBB2CYP3A4CYP2D6CYP2C19
SCHEMBL31013177 0.73 EGFR (0.34) EGFRERBB2CYP3A4CYP2D6CYP2C19
SCHEMBL21412230 0.73 EGFR (0.34) EGFRERBB2CYP3A4CYP2D6CYP2C19
SCHEMBL22323635 0.72 GAA (0.46) CYP2C19TSHRGAANPC1NFKB1
SCHEMBL29509300 0.72 GAA (0.46) CYP2C19TSHRGAANPC1NFKB1
SCHEMBL24248699 0.72 HSP90AA1 (0.37) EGFRPOLB
SCHEMBL28009643 0.71 TSHR (0.41) EGFRERBB2CYP3A4CYP2D6CYP2C19
SCHEMBL14125147 0.70 PTGDR2 (0.42) CYP3A4CYP2D6CYP2C19TSHRHIF1A
SCHEMBL22323637 0.69 NPC1 (0.36) GAANPC1NFKB1RAB9ANFKB2
SCHEMBL29509331 0.69 NPC1 (0.36) GAANPC1NFKB1RAB9ANFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114007614-A Methods and compositions for modulating splicing 斯基霍克疗法公司 2022-02-01 CN disclosed
EP-3920917-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING Skyhawk Therapeutics, Inc. (US) 2021-12-15 EP disclosed
WO-2020163248-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. (US) 2020-08-13 WO disclosed