SCHEMBL21394964

SCHEMBL21394964

Cn1nc(C(=O)Nc2nc(C#N)c(Cc3cccc(F)c3)s2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HTT P42858 1/20 0.46
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
PKM P14618 1/20 0.39
NTRK1 P04629 1/20 0.38
RIPK1 Q13546 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 1/20 0.36
SCD O00767 1/20 0.36
GRIA2 P42262 1/20 0.35
GRIN1 Q05586 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
SCHEMBL21395094 0.87 MAPT (0.49) MAPTALDH1A1HTTABCC8KCNJ11
SCHEMBL21395167 0.80 LMNA (0.60) MAPTALDH1A1HTTABCC8KCNJ11
SCHEMBL21394672 0.79 ABCC8 (0.56) MAPTALDH1A1HTTABCC8KCNJ11
SCHEMBL29354577 0.76 TSHR (0.55) MAPTALDH1A1ABCC8KCNJ11TSHR
SCHEMBL21394919 0.76 TSHR (0.55) MAPTALDH1A1ABCC8KCNJ11TSHR
SCHEMBL22479546 0.75 KMT2A (0.46) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL29356705 0.74 GPR52 (0.39) ALDH1A1TSHRLMNAPKMRIPK1
SCHEMBL21394515 0.73 LMNA (0.48) MAPTALDH1A1HTTLMNARAB9A
SCHEMBL21394641 0.73 TSHR (0.47) MAPTALDH1A1HTTABCC8KCNJ11
SCHEMBL21394582 0.73 TSHR (0.47) MAPTALDH1A1HTTABCC8KCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed